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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Nitroaromatic compounds Sulfuric acid monoesters Benzenoids Alkyl sulfates Thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
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