Compound Identification
SMILES
[Na+].CC(=S)\C=C1/SC2=C(C=C(Cl)C=C2)N1CCCS([O-])(=O)=O
InChIKey
InChIKey=KXIASPGVNHHEAV-QCCGTXRUSA-M
Formula
C13H13ClNNaO3S3
Mass
385.87
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
Aryl thioethers Aryl chlorides Benzenoids Thiazoles Sulfonyls Organosulfonic acids Alkanesulfonic acids Thioketones Ketene acetals Organic metal halides Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides Organic sodium salts Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Aryl chloride - Aryl halide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Thiazole - Ketene acetal or derivatives - Thioketone - Organic metal halide - Azacycle - Organic alkali metal salt - Organic sodium salt - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic salt - Thiocarbonyl group - 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