Compound Identification
SMILES
[Na+].CC1=CC2=C(NC(S2)(C2=CC=C(N)C=C2)S([O-])(=O)=O)C=C1
InChIKey
InChIKey=FTZKCHJUCUBJDH-UHFFFAOYSA-M
Formula
C14H13N2NaO3S2
Mass
344.38
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
Aniline and substituted anilines Secondary alkylarylamines Alkylarylthioethers Primary aromatic amines Thiazoles Sulfonyls Organosulfonic acids Alkanesulfonic acids Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Alkylarylthioether - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Thiazole - Azacycle - Organic alkali metal salt - Thioether - Organic sodium salt - Amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Organic nitrogen compound - 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