Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCOC(=O)N=C=S

InChIKey

InChIKey=XUNOYITUAKDVQO-UHFFFAOYSA-N

Formula

C14H25NO2S

Mass

271.42

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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 Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic acyclic compounds

Substituents

Isothiocyanate acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen 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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