Compound Identification
SMILES
OC1=C(C=C(Br)C=C1)C1NC2=CC=CC=C2S1
InChIKey
InChIKey=IIDFDMWMVQNIJV-UHFFFAOYSA-N
Formula
C13H10BrNOS
Mass
308.19
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
P-bromophenols Secondary alkylarylamines Bromobenzenes Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Thiazoles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - 4-halophenol - 4-bromophenol - Alkylarylthioether - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Phenol - Bromobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Thiazole - Azacycle - Thioether - Secondary amine - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - 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