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Isothiocyanates

Isothiocyanates

Organosulfur compounds that contain a sulfur atom bonded to a carbon atom that is bonded to a nitrogen atom via two double bonds in the following structure: S=C=N.
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1 – 11 of 11 results
2

4-Ethoxyphenyl isothiocyanate 97%, Thermo Scientific™

CAS: 3460-49-9 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 InChI Key: REEKOMRZYJXXNR-UHFFFAOYSA-N Synonym: 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate PubChem CID: 77006 IUPAC Name: 1-ethoxy-4-isothiocyanatobenzene SMILES: CCOC1=CC=C(C=C1)N=C=S

PubChem CID 77006
CAS 3460-49-9
Molecular Weight (g/mol) 179.237
SMILES CCOC1=CC=C(C=C1)N=C=S
Synonym 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate
IUPAC Name 1-ethoxy-4-isothiocyanatobenzene
InChI Key REEKOMRZYJXXNR-UHFFFAOYSA-N
Molecular Formula C9H9NOS
3

4-chloro-3-nitrophenyl isothiocyanate, Thermo Scientific™

CAS: 127142-66-9 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.623 InChI Key: ZXGZBHIDSJXKLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrophenyl isothiocyanate,4-chloro-3-nitrophenylisothiocyanate,acmc-1c0qb,4-chloro-3-nitrobenzenisothiocyanate,#,benzene,1-chloro-4-isothiocyanato-2-nitro,1-chloranyl-4-isothiocyanato-2-nitro-benzene PubChem CID: 145581 IUPAC Name: 1-chloro-4-isothiocyanato-2-nitrobenzene SMILES: C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])Cl

PubChem CID 145581
CAS 127142-66-9
Molecular Weight (g/mol) 214.623
SMILES C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])Cl
Synonym 4-chloro-3-nitrophenyl isothiocyanate,4-chloro-3-nitrophenylisothiocyanate,acmc-1c0qb,4-chloro-3-nitrobenzenisothiocyanate,#,benzene,1-chloro-4-isothiocyanato-2-nitro,1-chloranyl-4-isothiocyanato-2-nitro-benzene
IUPAC Name 1-chloro-4-isothiocyanato-2-nitrobenzene
InChI Key ZXGZBHIDSJXKLE-UHFFFAOYSA-N
Molecular Formula C7H3ClN2O2S
4

2,3-Dichlorophenyl isothiocyanate 97%, Thermo Scientific™

CAS: 6590-97-2 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00041048 InChI Key: RQZIODPVCCTBAQ-UHFFFAOYSA-N PubChem CID: 2796281 IUPAC Name: 1,2-dichloro-3-isothiocyanatobenzene SMILES: ClC1=CC=CC(N=C=S)=C1Cl

PubChem CID 2796281
CAS 6590-97-2
Molecular Weight (g/mol) 204.07
MDL Number MFCD00041048
SMILES ClC1=CC=CC(N=C=S)=C1Cl
IUPAC Name 1,2-dichloro-3-isothiocyanatobenzene
InChI Key RQZIODPVCCTBAQ-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NS
5

4-(Benzyloxy)phenyl isothiocyanate 97%, Thermo Scientific™

CAS: 139768-71-1 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 InChI Key: OQXRBXAFSXVCCO-UHFFFAOYSA-N Synonym: 4-benzyloxyphenyl isothiocyanate,4-benzyloxyphenylisothiocyanate,1-benzyloxy-4-isothiocyanatobenzene,4-phenylmethoxy benzenisothiocyanate,acmc-20amoj,4-benzyloxyisothiocyanate,4-phenylmethoxyphenylisothiocyanate,4-benzyloxy phenyl isothiocyanate,4-phenylmethoxy phenyl isothiocyanate,1-isothiocyanato-4-phenylmethoxy-benzene PubChem CID: 2735503 IUPAC Name: 1-isothiocyanato-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S

PubChem CID 2735503
CAS 139768-71-1
Molecular Weight (g/mol) 241.308
SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S
Synonym 4-benzyloxyphenyl isothiocyanate,4-benzyloxyphenylisothiocyanate,1-benzyloxy-4-isothiocyanatobenzene,4-phenylmethoxy benzenisothiocyanate,acmc-20amoj,4-benzyloxyisothiocyanate,4-phenylmethoxyphenylisothiocyanate,4-benzyloxy phenyl isothiocyanate,4-phenylmethoxy phenyl isothiocyanate,1-isothiocyanato-4-phenylmethoxy-benzene
IUPAC Name 1-isothiocyanato-4-phenylmethoxybenzene
InChI Key OQXRBXAFSXVCCO-UHFFFAOYSA-N
Molecular Formula C14H11NOS
6

Cyclopentyl isothiocyanate, 97%, Thermo Scientific™

CAS: 33522-03-1 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.205 MDL Number: MFCD00040877 InChI Key: PJOODZCPFADLCI-UHFFFAOYSA-N Synonym: cyclopentyl isothiocyanate,cyclopentane, isothiocyanato,isothiocyanato-cyclopentane,cyclopentanisothiocyanate,cyclopentylisothiocyanate,acmc-20albz PubChem CID: 141792 IUPAC Name: isothiocyanatocyclopentane SMILES: C1CCC(C1)N=C=S

PubChem CID 141792
CAS 33522-03-1
Molecular Weight (g/mol) 127.205
MDL Number MFCD00040877
SMILES C1CCC(C1)N=C=S
Synonym cyclopentyl isothiocyanate,cyclopentane, isothiocyanato,isothiocyanato-cyclopentane,cyclopentanisothiocyanate,cyclopentylisothiocyanate,acmc-20albz
IUPAC Name isothiocyanatocyclopentane
InChI Key PJOODZCPFADLCI-UHFFFAOYSA-N
Molecular Formula C6H9NS
7

4-(1H-Pyrazol-1-yl)phenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 352018-96-3 Molecular Formula: C10H7N3S Molecular Weight (g/mol): 201.25 MDL Number: MFCD02681939 InChI Key: GLAOJNMWLIFKCG-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-yl phenyl isothiocyanate,1-4-isothiocyanatophenyl pyrazole,4-1h-pyrazol-1-yl phenylisothiocyanate,1h-pyrazole,1-4-isothiocyanatophenyl,1h-pyrazole, 1-4-isothiocyanatophenyl,4-pyrazolylbenzenisothiocyanate,4-1h-pyrazole-1-yl phenyl isothiocyanate PubChem CID: 2776478 IUPAC Name: 1-(4-isothiocyanatophenyl)pyrazole SMILES: S=C=NC1=CC=C(C=C1)N1C=CC=N1

PubChem CID 2776478
CAS 352018-96-3
Molecular Weight (g/mol) 201.25
MDL Number MFCD02681939
SMILES S=C=NC1=CC=C(C=C1)N1C=CC=N1
Synonym 4-1h-pyrazol-1-yl phenyl isothiocyanate,1-4-isothiocyanatophenyl pyrazole,4-1h-pyrazol-1-yl phenylisothiocyanate,1h-pyrazole,1-4-isothiocyanatophenyl,1h-pyrazole, 1-4-isothiocyanatophenyl,4-pyrazolylbenzenisothiocyanate,4-1h-pyrazole-1-yl phenyl isothiocyanate
IUPAC Name 1-(4-isothiocyanatophenyl)pyrazole
InChI Key GLAOJNMWLIFKCG-UHFFFAOYSA-N
Molecular Formula C10H7N3S
8

Cyclopropyl isothiocyanate, 97%, Thermo Scientific™

CAS: 56601-42-4 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00040874 InChI Key: JGFBQFKZKSSODQ-UHFFFAOYSA-N Synonym: cyclopropyl isothiocyanate,cyclopropane, isothiocyanato,isothiocyanato-cyclopropane,cyclopropylisothiocyanate,acmc-20albt,pubchem22785,cyclopropyl iso-thiocyanate,cyclopropane,isothiocyanato PubChem CID: 92463 IUPAC Name: isothiocyanatocyclopropane SMILES: S=C=NC1CC1

PubChem CID 92463
CAS 56601-42-4
Molecular Weight (g/mol) 99.15
MDL Number MFCD00040874
SMILES S=C=NC1CC1
Synonym cyclopropyl isothiocyanate,cyclopropane, isothiocyanato,isothiocyanato-cyclopropane,cyclopropylisothiocyanate,acmc-20albt,pubchem22785,cyclopropyl iso-thiocyanate,cyclopropane,isothiocyanato
IUPAC Name isothiocyanatocyclopropane
InChI Key JGFBQFKZKSSODQ-UHFFFAOYSA-N
Molecular Formula C4H5NS
9

3,4-Dimethoxyphenethyl isothiocyanate, 95%, Thermo Scientific™

CAS: 21714-25-0 Molecular Formula: C11H13NO2S Molecular Weight (g/mol): 223.29 MDL Number: MFCD00041366 InChI Key: GHYFLDWHIVKQLS-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenethyl isothiocyanate,4-2-isothiocyanatoethyl-1,2-dimethoxybenzene,2-3,4-dimethoxyphenyl ethyl isothiocyanate,benzene, 4-2-isothiocyanatoethyl-1,2-dimethoxy,2-3,4-dimethoxyphenyl ethanisothiocyanate,acmc-20anep,3,4-dimethoxyphenethylisothiocyanate,b-3,4-dimethoxyphenyl ethyl isothiocyanate,3,4-dimethoxy-1-2-isothiocyanatoethyl benzene,4-2-isothiocyanatoethyl-1,2-dimethoxy-benzene PubChem CID: 140856 IUPAC Name: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene SMILES: COC1=CC=C(CCN=C=S)C=C1OC

PubChem CID 140856
CAS 21714-25-0
Molecular Weight (g/mol) 223.29
MDL Number MFCD00041366
SMILES COC1=CC=C(CCN=C=S)C=C1OC
Synonym 3,4-dimethoxyphenethyl isothiocyanate,4-2-isothiocyanatoethyl-1,2-dimethoxybenzene,2-3,4-dimethoxyphenyl ethyl isothiocyanate,benzene, 4-2-isothiocyanatoethyl-1,2-dimethoxy,2-3,4-dimethoxyphenyl ethanisothiocyanate,acmc-20anep,3,4-dimethoxyphenethylisothiocyanate,b-3,4-dimethoxyphenyl ethyl isothiocyanate,3,4-dimethoxy-1-2-isothiocyanatoethyl benzene,4-2-isothiocyanatoethyl-1,2-dimethoxy-benzene
IUPAC Name 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene
InChI Key GHYFLDWHIVKQLS-UHFFFAOYSA-N
Molecular Formula C11H13NO2S
10

3-Pyridyl isothiocyanate, ≥95%, Thermo Scientific™

CAS: 17452-27-6 Molecular Formula: C6H4N2S Molecular Weight (g/mol): 136.172 MDL Number: MFCD00052351 InChI Key: VMSZFBSYWXMXRF-UHFFFAOYSA-N Synonym: 3-pyridyl isothiocyanate,pyridine, 3-isothiocyanato,3-isothiocyanato-pyridine,pyridine-3-isothiocyanate,pyridine,3-isothiocyanato,3-pyridylisothiocyanate,3-pyridyl isotiocyanate,acmc-20an1z,3-pyridyl-isothiocyanate,pyridin-3-isothiocyanate PubChem CID: 2737242 IUPAC Name: 3-isothiocyanatopyridine SMILES: C1=CC(=CN=C1)N=C=S

PubChem CID 2737242
CAS 17452-27-6
Molecular Weight (g/mol) 136.172
MDL Number MFCD00052351
SMILES C1=CC(=CN=C1)N=C=S
Synonym 3-pyridyl isothiocyanate,pyridine, 3-isothiocyanato,3-isothiocyanato-pyridine,pyridine-3-isothiocyanate,pyridine,3-isothiocyanato,3-pyridylisothiocyanate,3-pyridyl isotiocyanate,acmc-20an1z,3-pyridyl-isothiocyanate,pyridin-3-isothiocyanate
IUPAC Name 3-isothiocyanatopyridine
InChI Key VMSZFBSYWXMXRF-UHFFFAOYSA-N
Molecular Formula C6H4N2S
11

Isobutyl isothiocyanate, 97%, Thermo Scientific™

CAS: 591-82-2 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.194 MDL Number: MFCD00022062 InChI Key: NSDDRJXKROCWRZ-UHFFFAOYSA-N Synonym: isobutyl isothiocyanate,i-butyl isothiocyanate,isobutylisothiocyanate,2-methylpropyl isothiocyanate,isothiocyanic acid, isobutyl ester,1-isothiocyanato-2-methyl-propane,unii-a498zc6z4f,isothiocyanic acid isobutyl ester,propane, 1-isothiocyanato-2-methyl,propane, 1-isothiocyanato-2-methyl-9ci PubChem CID: 68960 IUPAC Name: 1-isothiocyanato-2-methylpropane SMILES: CC(C)CN=C=S

PubChem CID 68960
CAS 591-82-2
Molecular Weight (g/mol) 115.194
MDL Number MFCD00022062
SMILES CC(C)CN=C=S
Synonym isobutyl isothiocyanate,i-butyl isothiocyanate,isobutylisothiocyanate,2-methylpropyl isothiocyanate,isothiocyanic acid, isobutyl ester,1-isothiocyanato-2-methyl-propane,unii-a498zc6z4f,isothiocyanic acid isobutyl ester,propane, 1-isothiocyanato-2-methyl,propane, 1-isothiocyanato-2-methyl-9ci
IUPAC Name 1-isothiocyanato-2-methylpropane
InChI Key NSDDRJXKROCWRZ-UHFFFAOYSA-N
Molecular Formula C5H9NS