Compound Identification
SMILES
COC(=O)NC(SC(NC(=O)OC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIKey
InChIKey=DDXIKMIMFZIUPE-UHFFFAOYSA-N
Formula
C8H10Cl6N2O4S
Mass
442.94
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
Methylcarbamates Thiohemiaminal derivatives Sulfenyl compounds Dialkylthioethers Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Sulfur mustard - Methylcarbamate - Carbamic acid ester - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic 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