Compound Identification
SMILES
OS(O)(=O)=O.NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O.NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=JAXPBVSIJFQLJK-UHFFFAOYSA-N
Formula
C14H12N6O8S3
Mass
488.46
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 Organic sulfuric acids Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1,3-benzothiazole - Nitroaromatic compound - Sulfuric acid - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Thiazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic salt - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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