Structure Information
Structure

Compound Identification

SMILES

COC(=O)N=C=S

InChIKey

InChIKey=LBFAAYMITJMZOC-UHFFFAOYSA-N

Formula

C3H3NO2S

Mass

117.12

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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

Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic acyclic compounds

Substituents

Isothiocyanate acid - Carbonic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - 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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