Structure Information
Structure

Compound Identification

SMILES

ClCCNCCCl.ClCCNCCCl.[O-][N+](=O)C(C#N)C(C(C#N)[N+]([O-])=O)C1=CC=CS1

InChIKey

InChIKey=XQLRPGXOCXCKBB-UHFFFAOYSA-N

Formula

C17H24Cl4N6O4S

Mass

550.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Nitrogen mustard compounds

Intermediate Tree Nodes

Not available

Direct Parent

Nitrogen mustard compounds

Alternative Parents

Thiophenes Heteroaromatic compounds C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Dialkylamines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides

Molecular Framework

Not available

Substituents

Nitrogen mustard - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Nitrile - Carbonitrile - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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