Molecule ID: 17520

IUPAC Name: 1,2-benzothiazol-3-one

Description: The molecule is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. It has a role as a disinfectant, a platelet aggregation inhibitor, an environmental contaminant, a xenobiotic, a drug allergen and a sensitiser. It is an organonitrogen heterocyclic compound and an organic heterobicyclic compound.

SMILES: Oc1nsc2ccccc12

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

InChI: InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.3