Compound Identification
SMILES
CC(C)SC1=CC=CC(=C1)C(O)=O
InChIKey
InChIKey=OPAFGGLXKOKGCI-UHFFFAOYSA-N
Formula
C10H12O2S
Mass
196.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Level 6
M-sulfanylbenzoic acids and derivatives
- Level 7 M-sulfanylbenzoic acids
-
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
Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Sulfenyl compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Carboxylic acid derivative - Carboxylic acid - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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