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Isothioureas

Isothioureas

Organosulfur compounds that are isomers of thiourea where the double bond is between carbon and nitrogen instead of between carbon and sulfur; thioureas are structurally similar to urea, except that the oxygen atom is replaced by a sulfur atom.
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1 – 15 of 36 results
1

BC 11 hydrobromide, Tocris Bioscience™
GREENER_CHOICE

CAS: 443776-49-6 Molecular Formula: C8H12BBrN2O2S Molecular Weight (g/mol): 290.97 InChI Key: PAFZAMOVHIRQOD-UHFFFAOYSA-N Synonym: bc 11 hydrobromide,carbamimidothioic acid 4-boronophenyl methyl ester hydrobromide PubChem CID: 78243712 IUPAC Name: [4-(carbamimidoylsulfanylmethyl)phenyl]boronic acid;hydrobromide SMILES: B(C1=CC=C(C=C1)CSC(=N)N)(O)O.Br

PubChem CID 78243712
CAS 443776-49-6
Molecular Weight (g/mol) 290.97
SMILES B(C1=CC=C(C=C1)CSC(=N)N)(O)O.Br
Synonym bc 11 hydrobromide,carbamimidothioic acid 4-boronophenyl methyl ester hydrobromide
IUPAC Name [4-(carbamimidoylsulfanylmethyl)phenyl]boronic acid;hydrobromide
InChI Key PAFZAMOVHIRQOD-UHFFFAOYSA-N
Molecular Formula C8H12BBrN2O2S
2

S-[2-(Dimethylamino)ethyl]isothiourea Dihydrochloride 97.0+%, TCI America™
SDP

3

S-Ethylisothiourea Hydrobromide 98.0+%, TCI America™
SDP

CAS: 1071-37-0 Molecular Formula: C3H9BrN2S Molecular Weight (g/mol): 185.083 MDL Number: MFCD00012585 InChI Key: SWXXKWPYNMZFTE-UHFFFAOYSA-N Synonym: s-ethylisothiourea hydrobromide,2-ethyl-2-thiopseudourea hydrobromide,ethiron,ethiron bromide,s-ethylthiuronium bromide,s-ethylisothiouronium hydrobromide,bromide s-ethylisothiuronium,s-ethylisothiuronium bromide,usaf el-18,isothuron hydrobromide PubChem CID: 200213 IUPAC Name: ethyl carbamimidothioate;hydrobromide SMILES: CCSC(=N)N.Br

PubChem CID 200213
CAS 1071-37-0
Molecular Weight (g/mol) 185.083
MDL Number MFCD00012585
SMILES CCSC(=N)N.Br
Synonym s-ethylisothiourea hydrobromide,2-ethyl-2-thiopseudourea hydrobromide,ethiron,ethiron bromide,s-ethylthiuronium bromide,s-ethylisothiouronium hydrobromide,bromide s-ethylisothiuronium,s-ethylisothiuronium bromide,usaf el-18,isothuron hydrobromide
IUPAC Name ethyl carbamimidothioate;hydrobromide
InChI Key SWXXKWPYNMZFTE-UHFFFAOYSA-N
Molecular Formula C3H9BrN2S
4

Methyl aminomethanimidothioate hydroiodide, 95%, Thermo Scientific™

CAS: 4338-95-8 Molecular Formula: C2H7IN2S Molecular Weight (g/mol): 218.06 MDL Number: MFCD00035598 InChI Key: LFXAECSQJSRSTP-UHFFFAOYSA-N Synonym: methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide PubChem CID: 197812 SMILES: [H+].[I-].CSC(N)=N

PubChem CID 197812
CAS 4338-95-8
Molecular Weight (g/mol) 218.06
MDL Number MFCD00035598
SMILES [H+].[I-].CSC(N)=N
Synonym methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide
InChI Key LFXAECSQJSRSTP-UHFFFAOYSA-N
Molecular Formula C2H7IN2S
5

S-[4-[(4-Nitrobenzyl)oxy]phenethyl]isothiourea Methanesulfonate 98.0+%, TCI America™
SDP

CAS: 182004-65-5 Molecular Formula: C17H21N3O6S2 Molecular Weight (g/mol): 427.49 MDL Number: MFCD00952138 InChI Key: WGIKEBHIKKWJLG-UHFFFAOYSA-N Synonym: kb-r7943 mesylate,2-2-4-4-nitrobenzyloxy phenyl ethyl isothiourea mesylate,4-4-nitrobenzyl oxy phenethyl carbamimidothioate methanesulfonate,s-4-4-nitrobenzyl oxy phenethyl isothiourea methanesulfonate,2-2-4-4-nitrobenzyloxy phenyl ethyl isothiourea, methane sulfonate,2-4-4-nitrophenyl methoxy phenyl ethyl sulfanylmethanimidamide; methanesulfonic acid,d0f4fk PubChem CID: 9823846 IUPAC Name: methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate SMILES: CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]

PubChem CID 9823846
CAS 182004-65-5
Molecular Weight (g/mol) 427.49
MDL Number MFCD00952138
SMILES CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
Synonym kb-r7943 mesylate,2-2-4-4-nitrobenzyloxy phenyl ethyl isothiourea mesylate,4-4-nitrobenzyl oxy phenethyl carbamimidothioate methanesulfonate,s-4-4-nitrobenzyl oxy phenethyl isothiourea methanesulfonate,2-2-4-4-nitrobenzyloxy phenyl ethyl isothiourea, methane sulfonate,2-4-4-nitrophenyl methoxy phenyl ethyl sulfanylmethanimidamide; methanesulfonic acid,d0f4fk
IUPAC Name methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
InChI Key WGIKEBHIKKWJLG-UHFFFAOYSA-N
Molecular Formula C17H21N3O6S2
6

2-Aminothiazole 98.0+%, TCI America™
SDP

CAS: 96-50-4 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00005325 InChI Key: RAIPHJJURHTUIC-UHFFFAOYSA-N Synonym: 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine PubChem CID: 2155 ChEBI: CHEBI:40782 IUPAC Name: 1,3-thiazol-2-amine SMILES: NC1=NC=CS1

PubChem CID 2155
CAS 96-50-4
Molecular Weight (g/mol) 100.14
ChEBI CHEBI:40782
MDL Number MFCD00005325
SMILES NC1=NC=CS1
Synonym 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine
IUPAC Name 1,3-thiazol-2-amine
InChI Key RAIPHJJURHTUIC-UHFFFAOYSA-N
Molecular Formula C3H4N2S
7

S-(2-Aminoethyl)isothiouronium Bromide Hydrobromide 98.0+%, TCI America™
SDP

CAS: 56-10-0 Molecular Formula: C3H11Br2N3S Molecular Weight (g/mol): 281.01 MDL Number: MFCD00037011 InChI Key: XDVMCVGTDUKDHL-UHFFFAOYSA-N Synonym: 2-2-aminoethyl isothiourea dihydrobromide,antiradon,antirad,surrectan,ixecur,2-aminoethyl carbamimidothioate dihydrobromide,usaf xr-31,2-2-aminoethyl-2-thiopseudourea dihydrobromide,2-aminoethylisothiouronium dibromide,carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide PubChem CID: 5940 IUPAC Name: 2-aminoethyl carbamimidothioate;dihydrobromide SMILES: C(CSC(=N)N)N.Br.Br

PubChem CID 5940
CAS 56-10-0
Molecular Weight (g/mol) 281.01
MDL Number MFCD00037011
SMILES C(CSC(=N)N)N.Br.Br
Synonym 2-2-aminoethyl isothiourea dihydrobromide,antiradon,antirad,surrectan,ixecur,2-aminoethyl carbamimidothioate dihydrobromide,usaf xr-31,2-2-aminoethyl-2-thiopseudourea dihydrobromide,2-aminoethylisothiouronium dibromide,carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide
IUPAC Name 2-aminoethyl carbamimidothioate;dihydrobromide
InChI Key XDVMCVGTDUKDHL-UHFFFAOYSA-N
Molecular Formula C3H11Br2N3S
8

2-(Methylthio)-4,5-dihydro-1H-imidazole hydrobromide, Thermo Scientific™

CAS: 40241-78-9 Molecular Formula: C4H9BrN2S Molecular Weight (g/mol): 197.094 MDL Number: MFCD01570110 InChI Key: UPISCLUJZRQPPJ-UHFFFAOYSA-N Synonym: 2-methylthio-4,5-dihydro-1h-imidazole hydrobromide,4,5-dihydro-2-methylthio-1h-imidazole monohydrobromide,2-methylsulfanyl-4,5-dihydro-1h-imidazole hydrobromide,2-methylthio-2-imidazoline, bromide,1h-imidazole,4,5-dihydro-2-methylthio-, hydrobromide 1:1 PubChem CID: 2777335 IUPAC Name: 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide SMILES: CSC1=NCCN1.Br

PubChem CID 2777335
CAS 40241-78-9
Molecular Weight (g/mol) 197.094
MDL Number MFCD01570110
SMILES CSC1=NCCN1.Br
Synonym 2-methylthio-4,5-dihydro-1h-imidazole hydrobromide,4,5-dihydro-2-methylthio-1h-imidazole monohydrobromide,2-methylsulfanyl-4,5-dihydro-1h-imidazole hydrobromide,2-methylthio-2-imidazoline, bromide,1h-imidazole,4,5-dihydro-2-methylthio-, hydrobromide 1:1
IUPAC Name 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
InChI Key UPISCLUJZRQPPJ-UHFFFAOYSA-N
Molecular Formula C4H9BrN2S
9

KB-R7943 mesylate, Tocris Bioscience™
GSA_VA GREENER_CHOICE

CAS: 182004-65-5 Molecular Formula: C17H21N3O6S2 Molecular Weight (g/mol): 427.49 InChI Key: WGIKEBHIKKWJLG-UHFFFAOYSA-N Synonym: kb-r7943 mesylate,2-2-4-4-nitrobenzyloxy phenyl ethyl isothiourea mesylate,4-4-nitrobenzyl oxy phenethyl carbamimidothioate methanesulfonate,s-4-4-nitrobenzyl oxy phenethyl isothiourea methanesulfonate,2-2-4-4-nitrobenzyloxy phenyl ethyl isothiourea, methane sulfonate,2-4-4-nitrophenyl methoxy phenyl ethyl sulfanylmethanimidamide; methanesulfonic acid,d0f4fk PubChem CID: 9823846 IUPAC Name: methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate SMILES: CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]

PubChem CID 9823846
CAS 182004-65-5
Molecular Weight (g/mol) 427.49
SMILES CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
Synonym kb-r7943 mesylate,2-2-4-4-nitrobenzyloxy phenyl ethyl isothiourea mesylate,4-4-nitrobenzyl oxy phenethyl carbamimidothioate methanesulfonate,s-4-4-nitrobenzyl oxy phenethyl isothiourea methanesulfonate,2-2-4-4-nitrobenzyloxy phenyl ethyl isothiourea, methane sulfonate,2-4-4-nitrophenyl methoxy phenyl ethyl sulfanylmethanimidamide; methanesulfonic acid,d0f4fk
IUPAC Name methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
InChI Key WGIKEBHIKKWJLG-UHFFFAOYSA-N
Molecular Formula C17H21N3O6S2
10

NBMPR
GREENER_CHOICE

CAS: 32385-58-3 Molecular Formula: C6H12Br2N4S Molecular Weight (g/mol): 332.06 MDL Number: MFCD00153816 InChI Key: DOBOYMKCRRLTRF-UHFFFAOYSA-N Synonym: imetit dihydrobromide,imetit hydrobromide,s-2-imidazol-4-yl ethyl isothiourea,s-2-1h-imidazol-4-yl ethyl isothiourea dihydrobromide,2-1h-imidazol-4-yl ethyl carbamimidothioate dihydrobromide,s-2-imidazol-4-yl ethyl isothiourea dihydrobromide,imetit dihydrobromide hplc,s-2-imidazol-4-yl ethyl isothiourea 2hbr,s-2-imidazol-4-yl ethyl isothiourea dihydrochloride,2-2-1h-imidazol-5-yl ethyl isothiourea dihydrobromide PubChem CID: 11957573 ChEBI: CHEBI:64151 IUPAC Name: {[2-(1H-imidazol-5-yl)ethyl]sulfanyl}methanimidamide dihydrobromide SMILES: Br.Br.NC(=N)SCCC1=CN=CN1

PubChem CID 11957573
CAS 32385-58-3
Molecular Weight (g/mol) 332.06
ChEBI CHEBI:64151
MDL Number MFCD00153816
SMILES Br.Br.NC(=N)SCCC1=CN=CN1
Synonym imetit dihydrobromide,imetit hydrobromide,s-2-imidazol-4-yl ethyl isothiourea,s-2-1h-imidazol-4-yl ethyl isothiourea dihydrobromide,2-1h-imidazol-4-yl ethyl carbamimidothioate dihydrobromide,s-2-imidazol-4-yl ethyl isothiourea dihydrobromide,imetit dihydrobromide hplc,s-2-imidazol-4-yl ethyl isothiourea 2hbr,s-2-imidazol-4-yl ethyl isothiourea dihydrochloride,2-2-1h-imidazol-5-yl ethyl isothiourea dihydrobromide
IUPAC Name {[2-(1H-imidazol-5-yl)ethyl]sulfanyl}methanimidamide dihydrobromide
InChI Key DOBOYMKCRRLTRF-UHFFFAOYSA-N
Molecular Formula C6H12Br2N4S
11

VUF 8430 dihydrobromide, Tocris Bioscience™
GREENER_CHOICE

CAS: 100130-32-3 Molecular Formula: C4H13Br2N5S Molecular Weight (g/mol): 323.051 InChI Key: GPWJSTKHQMIXCA-UHFFFAOYSA-N Synonym: vuf 8430 dihydrobromide,pseudourea, 2-2-guanidinoethyl-2-thio-, dihydrobromide,s-2-guanidylethyl-isothiourea,s,2-guanidinoethylisothiuronium bromide hydrobromide,carbamimidothioic acid, 2-aminoiminomethyl amino ethyl ester, dihydrobromide,2-2-guanidinoethyl-2-thiopseudourea dihydrobromide,2-aminoiminomethyl amino ethyl carbamimidothioic acid ester,carbamimidothioic acid,2-aminoiminomethyl amino ethyl ester, dihydrobromide 9ci,2-carbamimidoylsulfanyl ethaneguanidine dihydrobromide,acmc-20m37r PubChem CID: 3063227 IUPAC Name: 2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide SMILES: C(CSC(=N)N)N=C(N)N.Br.Br

PubChem CID 3063227
CAS 100130-32-3
Molecular Weight (g/mol) 323.051
SMILES C(CSC(=N)N)N=C(N)N.Br.Br
Synonym vuf 8430 dihydrobromide,pseudourea, 2-2-guanidinoethyl-2-thio-, dihydrobromide,s-2-guanidylethyl-isothiourea,s,2-guanidinoethylisothiuronium bromide hydrobromide,carbamimidothioic acid, 2-aminoiminomethyl amino ethyl ester, dihydrobromide,2-2-guanidinoethyl-2-thiopseudourea dihydrobromide,2-aminoiminomethyl amino ethyl carbamimidothioic acid ester,carbamimidothioic acid,2-aminoiminomethyl amino ethyl ester, dihydrobromide 9ci,2-carbamimidoylsulfanyl ethaneguanidine dihydrobromide,acmc-20m37r
IUPAC Name 2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide
InChI Key GPWJSTKHQMIXCA-UHFFFAOYSA-N
Molecular Formula C4H13Br2N5S
12

2-Amino-4,5-dimethylthiazole Hydrochloride 98.0+%, TCI America™
SDP

CAS: 71574-33-9 Molecular Formula: C5H9ClN2S Molecular Weight (g/mol): 164.651 MDL Number: MFCD00012711 InChI Key: XYTUTNQRQLAZLK-UHFFFAOYSA-N Synonym: 4,5-dimethylthiazol-2-amine hydrochloride,2-amino-4,5-dimethylthiazole hydrochloride,4,5-dimethyl-1,3-thiazol-2-amine hydrochloride,dimethyl-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 4,5-dimethyl-, monohydrochloride,acmc-209oj8,ksc496i8r,4,5-dimethylthiazol-2-amine hcl salt,4,5-dimethylthiazol-2-amine hcl,2-amino-4,5-dimethyl thiazole hydrochloride PubChem CID: 16211387 IUPAC Name: 4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride SMILES: CC1=C(SC(=N1)N)C.Cl

PubChem CID 16211387
CAS 71574-33-9
Molecular Weight (g/mol) 164.651
MDL Number MFCD00012711
SMILES CC1=C(SC(=N1)N)C.Cl
Synonym 4,5-dimethylthiazol-2-amine hydrochloride,2-amino-4,5-dimethylthiazole hydrochloride,4,5-dimethyl-1,3-thiazol-2-amine hydrochloride,dimethyl-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 4,5-dimethyl-, monohydrochloride,acmc-209oj8,ksc496i8r,4,5-dimethylthiazol-2-amine hcl salt,4,5-dimethylthiazol-2-amine hcl,2-amino-4,5-dimethyl thiazole hydrochloride
IUPAC Name 4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
InChI Key XYTUTNQRQLAZLK-UHFFFAOYSA-N
Molecular Formula C5H9ClN2S
13

(-)-Benzotetramisole 98.0+%, TCI America™
SDP

CAS: 950194-37-3 Molecular Formula: C15H12N2S Molecular Weight (g/mol): 252.335 InChI Key: YGCWPCVAVSIFLO-GFCCVEGCSA-N Synonym: (-)-BTM, (2S)-2,3-Dihydro-2-phenylimidazo[2,1-b]benzothiazole PubChem CID: 17747785 IUPAC Name: (2S)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole SMILES: C1C(N=C2N1C3=CC=CC=C3S2)C4=CC=CC=C4

PubChem CID 17747785
CAS 950194-37-3
Molecular Weight (g/mol) 252.335
SMILES C1C(N=C2N1C3=CC=CC=C3S2)C4=CC=CC=C4
Synonym (-)-BTM, (2S)-2,3-Dihydro-2-phenylimidazo[2,1-b]benzothiazole
IUPAC Name (2S)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
InChI Key YGCWPCVAVSIFLO-GFCCVEGCSA-N
Molecular Formula C15H12N2S
14

(+)-Benzotetramisole 97.0+%, TCI America™
SDP

CAS: 885051-07-0 Molecular Formula: C15H12N2S Molecular Weight (g/mol): 252.335 InChI Key: YGCWPCVAVSIFLO-LBPRGKRZSA-N Synonym: (2R)-2,3-Dihydro-2-phenylimidazo[2,1-b]benzothiazole, (+)-BTM PubChem CID: 11557884 IUPAC Name: (2R)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole SMILES: C1C(N=C2N1C3=CC=CC=C3S2)C4=CC=CC=C4

PubChem CID 11557884
CAS 885051-07-0
Molecular Weight (g/mol) 252.335
SMILES C1C(N=C2N1C3=CC=CC=C3S2)C4=CC=CC=C4
Synonym (2R)-2,3-Dihydro-2-phenylimidazo[2,1-b]benzothiazole, (+)-BTM
IUPAC Name (2R)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
InChI Key YGCWPCVAVSIFLO-LBPRGKRZSA-N
Molecular Formula C15H12N2S
15

N,S-Dimethylisothiouronium hydriodide, 98%, Thermo Scientific Chemicals

CAS: 41306-45-0 Molecular Formula: C3H9IN2S Molecular Weight (g/mol): 232.083 MDL Number: MFCD00192092 InChI Key: UDUMWDDMSHXGGQ-UHFFFAOYSA-N Synonym: 1,2-dimethyl-2-thiopseudourea hydriodide,1,2-dimethylisothiourea hydriodate,n,s-dimethyl-isothiourea hydroiodide,1,2-dimethyl-isothiourea hydroiodide,n,s-dimethylisothiouronium hydriodide,iminomethylthiomethyl methylamine, iodide,1,2-dimethyl-2-thiopseudoureahydriodide,n-methyl methylsulfanyl methanimidamide hydroiodide,n'-methyl methylsulfanyl methanimidamide hydroiodide PubChem CID: 12263909 IUPAC Name: methyl N'-methylcarbamimidothioate;hydroiodide SMILES: CN=C(N)SC.I

PubChem CID 12263909
CAS 41306-45-0
Molecular Weight (g/mol) 232.083
MDL Number MFCD00192092
SMILES CN=C(N)SC.I
Synonym 1,2-dimethyl-2-thiopseudourea hydriodide,1,2-dimethylisothiourea hydriodate,n,s-dimethyl-isothiourea hydroiodide,1,2-dimethyl-isothiourea hydroiodide,n,s-dimethylisothiouronium hydriodide,iminomethylthiomethyl methylamine, iodide,1,2-dimethyl-2-thiopseudoureahydriodide,n-methyl methylsulfanyl methanimidamide hydroiodide,n'-methyl methylsulfanyl methanimidamide hydroiodide
IUPAC Name methyl N'-methylcarbamimidothioate;hydroiodide
InChI Key UDUMWDDMSHXGGQ-UHFFFAOYSA-N
Molecular Formula C3H9IN2S