Compound Identification
SMILES
[Be++].CCOC1=CC2=C(C=C1)N=C(S2)S([NH-])(=O)=O.CCOC1=CC2=C(C=C1)N=C(S2)S([NH-])(=O)=O
InChIKey
InChIKey=XMSAPMBBNFADTJ-UHFFFAOYSA-N
Formula
C18H18BeN4O6S4
Mass
523.62
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
Phenol ethers Alkyl aryl ethers Thiazoles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Organic beryllium salts Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1,3-benzothiazole - Phenol ether - Alkyl aryl ether - Benzenoid - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Thiazole - Organic beryllium salt - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - 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