Structure Information
Structure

Compound Identification

SMILES

CC(C)SC1=C(Cl)C=CC(=C1)C(O)=O

InChIKey

InChIKey=OMHHCDSZRSKDCC-UHFFFAOYSA-N

Formula

C10H11ClO2S

Mass

230.71

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Sulfanylbenzoic acids and derivatives - M-sulfanylbenzoic acids and derivatives

Direct Parent

M-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - M-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.

External Descriptors

Not available

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