Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=NC2=CC=C(C=C2)C2=CSC(=N2)C2=CC=C(Cl)C=C2)C=CC(=C1)N(CCOS(C)(=O)=O)CCOS(C)(=O)=O

InChIKey

InChIKey=IGPJOVSMGKQMEN-UHFFFAOYSA-N

Formula

C29H30ClN3O6S3

Mass

648.2

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Aminotoluenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - 2,4-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Thiazole - Organic sulfonic acid or derivatives - Sulfonyl - Azole - Organosulfonic acid or derivatives - Heteroaromatic compound - Shiff base - Tertiary amine - Aldimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Imine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.

External Descriptors

Not available

Previous Back Next