Compound Identification
SMILES
Cl.ClCCN(CCCl)CC1=C(Br)SC=C1
InChIKey
InChIKey=VXJDQCIFNBHDCY-UHFFFAOYSA-N
Formula
C9H13BrCl3NS
Mass
353.52
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
Aralkylamines Aryl bromides Thiophenes Heteroaromatic compounds Trialkylamines Organopnictogen compounds Organochlorides Organobromides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Aralkylamine - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Organochloride - Organobromide - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen 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