Compound Identification
SMILES
COC1=CC(S)=C(C=C1)C(=O)NC1CCCC1
InChIKey
InChIKey=MHTZPHQLTVRYTR-UHFFFAOYSA-N
Formula
C13H17NO2S
Mass
251.34
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
Benzamides Thiophenols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Thiols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Thiophenol - Phenol ether - Alkyl aryl ether - Carboxamide group - Secondary carboxylic acid amide - Arylthiol - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur 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