Structure Information
Structure

Compound Identification

SMILES

ClCC[S+](CCCl)CCCl

InChIKey

InChIKey=KEVDQYRVNOQRET-UHFFFAOYSA-N

Formula

C6H12Cl3S

Mass

222.57

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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

Organochlorides Hydrocarbon derivatives Alkyl chlorides Organic cations

Molecular Framework

Aliphatic acyclic compounds

Substituents

Sulfur mustard - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Organic cation - Aliphatic acyclic 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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