Compound Identification
SMILES
CCCSC1=CC=CC=C1C(=O)NCC1CCCO1
InChIKey
InChIKey=BPHUYSPLVFUCHM-UHFFFAOYSA-N
Formula
C15H21NO2S
Mass
279.4
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 Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Oxolanes Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Oxolane - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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