Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(C[N+]([O-])=O)SCCN

InChIKey

InChIKey=FQRGMDCQAKHQDH-UHFFFAOYSA-N

Formula

C11H16N2O2S

Mass

240.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Toluenes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Sulfenyl compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.

External Descriptors

Not available

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