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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
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
Trialkylamines Organic metal halides Enamines Organosulfur compounds Organochlorides Organic cobalt salts Hydrocarbon derivatives Alkyl chlorides Organic cations
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