Compound Identification
SMILES
[O-]C(=O)CSC(=S)OCCN1C(=O)SC2=C1C=CC(Br)=C2
InChIKey
InChIKey=JIQWMDUCCQDLHG-UHFFFAOYSA-M
Formula
C12H9BrNO4S3
Mass
407.29
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 bromides Benzenoids Thiazoles Heteroaromatic compounds Monothioacetals Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Monothioacetal - Thiazole - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic anion - 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