Compound Identification
SMILES
CC(C)SC1=C(Cl)C=CC(=C1)C(O)=O
InChIKey
InChIKey=OMHHCDSZRSKDCC-UHFFFAOYSA-N
Formula
C10H11ClO2S
Mass
230.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Sulfanylbenzoic acids and derivatives
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Level 6
M-sulfanylbenzoic acids and derivatives
- Level 7 M-sulfanylbenzoic acids
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Level 6
M-sulfanylbenzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Halobenzoic acids 4-halobenzoic acids Benzoic acids Thiophenol ethers Benzoyl derivatives Chlorobenzenes Alkylarylthioethers Aryl chlorides Sulfenyl compounds Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
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