Structure Information
Structure

Compound Identification

SMILES

Cl.CCN(CC)CCOC(=O)C1=CC(S)=C(N)C=C1

InChIKey

InChIKey=APRIPHVUMAUGPN-UHFFFAOYSA-N

Formula

C13H21ClN2O2S

Mass

304.83

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Sulfanylbenzoic acids and derivatives

Direct Parent

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aminobenzoic acid or derivatives - Benzoate ester - M-sulfanylbenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Thiophenol - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Arylthiol - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-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 3, respectively.

External Descriptors

Not available

Previous Back Next