Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1CCC(CC1)NC(=O)C(CCl)SCCCl

InChIKey

InChIKey=JICLZTHRCRRSOD-UHFFFAOYSA-N

Formula

C12H19Cl2NO3S

Mass

328.25

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Sulfur mustard compounds

Intermediate Tree Nodes

Not available

Direct Parent

Sulfur mustard compounds

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Sulfur mustard - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as sulfur mustard compounds. These are compounds containing having two beta-haloalkyl groups bound to a sulfur atom.

External Descriptors

Not available

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