Compound Identification
SMILES
CC1=CC=C(S1)N(CCBr)CCBr
InChIKey
InChIKey=PZDREXOTCJQIKZ-UHFFFAOYSA-N
Formula
C9H13Br2NS
Mass
327.08
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
Dialkylarylamines 2,5-disubstituted thiophenes 2-aminothiophenes Heteroaromatic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkylarylamine - Nitrogen mustard - 2,5-disubstituted thiophene - 2-aminothiophene - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - 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