Structure Information
Structure

Compound Identification

SMILES

[Co+3].CN(C)C([SH2+])=[SH+].CN(C)C([SH2+])=[SH+].ClCCN(CCCl)C1=CC(=[N-])C(=[N-])C=C1

InChIKey

InChIKey=WJQCTUCTJAJJSX-UHFFFAOYSA-R

Formula

C16H29Cl2CoN5S4

Mass

549.51

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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

Molecular Framework

Not available

Substituents

Nitrogen mustard - Tertiary amine - Tertiary aliphatic amine - Organic metal halide - Enamine - Organic transition metal salt - Alkyl chloride - Alkyl halide - Organic salt - Organosulfur compound - Organochloride - Organohalogen compound - Organic cobalt salt - Hydrocarbon derivative - Amine - Organic cation - Aliphatic homomonocyclic 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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