Molecule ID: 7222

IUPAC Name: 1,3-benzothiazole

Description: The molecule is an organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. It has a role as a plant metabolite, a xenobiotic and an environmental contaminant.

SMILES: c1ccc2scnc2c1

SELFIES: [C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]

InChI: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

Molecular Properties:
- Polar Surface Area: 41.1 Ų
- LogP: 2.0