Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(CSC#N)C=CC(Cl)=C1

InChIKey

InChIKey=YEEKANGTDBHSKW-UHFFFAOYSA-N

Formula

C8H5ClN2O2S

Mass

228.65

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzyl thiocyanates

Intermediate Tree Nodes

Not available

Direct Parent

Benzyl thiocyanates

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzyl thiocyanate - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Thiocyanate - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzyl thiocyanates. These are aromatic compounds containing an thiocyanate group that is S-substituted to a benzyl group.

External Descriptors

Not available

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