Structure Information
Structure

Compound Identification

SMILES

CC(CC(O)=O)(SC(=S)C1=CC=CC=C1)C#N

InChIKey

InChIKey=PWSNXHRDUVVGKR-UHFFFAOYSA-N

Formula

C12H11NO2S2

Mass

265.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acids and conjugates

Intermediate Tree Nodes

Not available

Direct Parent

Thia fatty acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Thia fatty acid - Monocyclic benzene moiety - Benzenoid - Carbodithioic ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Sulfenyl compound - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.

External Descriptors

Not available

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