Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=CC=C1SN1CCCC1

InChIKey

InChIKey=FPIDBOMICWLODU-UHFFFAOYSA-N

Formula

C12H15NO2S

Mass

237.32

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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

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoyl - Pyrrolidine - Methyl ester - Carboxylic acid ester - Azacycle - Sulfenyl compound - Organosulfenic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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

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