Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC(=O)SCCNCCOCCC#N

InChIKey

InChIKey=DDHIFUPUNPCBIP-UHFFFAOYSA-N

Formula

C16H24N2O5S2

Mass

388.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Thiocarboxylic acids and derivatives

Subclass

Thioesters

Intermediate Tree Nodes

Not available

Direct Parent

Thioesters

Alternative Parents

Molecular Framework

Not available

Substituents

Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid or derivatives - Sulfenyl compound - Secondary amine - Nitrile - Carbonitrile - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S).

External Descriptors

Not available

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