Structure Information
Structure

Compound Identification

SMILES

ClCC(=O)N=C=S

InChIKey

InChIKey=DFQJJEOEWRFIQS-UHFFFAOYSA-N

Formula

C3H2ClNOS

Mass

135.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Isothiocyanates

Subclass

Isothiocyanate acids

Intermediate Tree Nodes

Not available

Direct Parent

Isothiocyanate acids

Alternative Parents

Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides

Molecular Framework

Aliphatic acyclic compounds

Substituents

Isothiocyanate acid - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as isothiocyanate acids. These are acidic derivatives of isothiocyanates with the general formula RC(=O)N=C=S.

External Descriptors

Not available

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