Compound Identification
SMILES
CC(C)(C)NN.CSC1=CC=CC=C1C(Cl)=O
InChIKey
InChIKey=HFMUZDSMYCRKFC-UHFFFAOYSA-N
Formula
C12H19ClN2OS
Mass
274.81
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
Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Sulfenyl compounds Alkylhydrazines Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
O-sulfanylbenzoic acid or derivatives - Benzoyl - Aryl thioether - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Acyl chloride - Acyl halide - Thioether - Alkylhydrazine - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrazine derivative - Organic oxide - Hydrocarbon derivative - 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