Compound Identification
SMILES
OC(=O)C1CCC(CC1)NC(=O)C(CCl)SCCCl
InChIKey
InChIKey=JICLZTHRCRRSOD-UHFFFAOYSA-N
Formula
C12H19Cl2NO3S
Mass
328.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
- Subclass Sulfur mustard compounds
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Sulfur mustard compounds
Intermediate Tree Nodes
Not available
Direct Parent
Sulfur mustard compounds
Alternative Parents
Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Sulfur mustard - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as sulfur mustard compounds. These are compounds containing having two beta-haloalkyl groups bound to a sulfur atom.
External Descriptors
Not available