Structure Information
Structure

Compound Identification

SMILES

CCOS([O-])(=O)=O.CC[N+]1=C(C)SC2=C1C=C(C=C2)[N+]([O-])=O

InChIKey

InChIKey=LWGCRTAGOSALCZ-UHFFFAOYSA-M

Formula

C12H16N2O6S2

Mass

348.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

Molecular Framework

Not available

Substituents

1,3-benzothiazole - Nitroaromatic compound - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Sulfuric acid monoester - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

External Descriptors

Not available

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