Compound Identification
SMILES
ClC(=O)C1=C(SSC2=C(C=C(Cl)C=C2)C(Cl)=O)C=CC(Cl)=C1
InChIKey
InChIKey=DMBDGPWQJPOPEH-UHFFFAOYSA-N
Formula
C14H6Cl4O2S2
Mass
412.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Organic disulfides Sulfenyl compounds Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic disulfide - Acyl chloride - Acyl halide - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available