Structure Information
Structure

Compound Identification

SMILES

CNC(NCCS)=C[N+]([O-])=O

InChIKey

InChIKey=JZCXCGRGVDXRDQ-UHFFFAOYSA-N

Formula

C5H11N3O2S

Mass

177.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

Not available

Direct Parent

C-nitro compounds

Alternative Parents

Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkylthiols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic acyclic compounds

Substituents

C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon.

External Descriptors

Not available

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