Structure Information
Structure

Compound Identification

SMILES

OC(C(CF)NC(=O)C(F)F)C1=CC=C(C=C1)C1=NN=CS1

InChIKey

InChIKey=CJTYBMXNNVIKQQ-UHFFFAOYSA-N

Formula

C13H12F3N3O2S

Mass

331.31

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrogen mustard - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Organofluoride - Organohalogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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

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