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3-(Methylthio)benzoic acid, 97%, Thermo Scientific Chemicals

Catalog No. AAH2720014
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It is used in the de novo design of small molecule inhibitors targeting the LEDGF/p75-HIV integrase interaction.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is used in the de novo design of small molecule inhibitors targeting the LEDGF/p75-HIV integrase interaction.

Notes
Store away from oxidizing agents. Keep the container tightly closed and place it in a cool, dry and well ventilated condition.

Chemical Identifiers

CAS

825-99-0

Molecular Formula

C8H8O2S

Molecular Weight (g/mol)

168.21

MDL Number

MFCD00156993

InChI Key

PZGADOOBMVLBJE-UHFFFAOYSA-N

Synonym

3-methylthio benzoic acid, 3-methylsulfanyl benzoic acid, benzoic acid, 3-methylthio, benzoic acid, m-methylthio, 3-mercaptobenzoic acid s-methyl ether, 3-methylsulfanyl-benzoic acid, 3-carboxythioanisole, pubchem10679

PubChem CID

220329

IUPAC Name

3-methylsulfanylbenzoic acid

SMILES

CSC1=CC=CC(=C1)C(=O)O

Specifications

Melting Point

126°C to 132°C

Quantity

25 g

Formula Weight

168.21

Percent Purity

97%

Chemical Name or Material

3-(Methylthio)benzoic acid

Hazard Category

H315-H319-H335

Hazard Statement

GHS H Statement
H315-H319-H335
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

Precautionary Statement

P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c

TSCA

No

Recommended Storage

Ambient temperatures

RUO – Research Use Only

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