Molecule ID: 697993

IUPAC Name: 3H-1,3-benzothiazole-2-thione

Description: The molecule is 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group. It has a role as a carcinogenic agent and a metabolite. It is a member of benzothiazoles and an aryl thiol.

SMILES: Sc1nc2ccccc2s1

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

InChI: InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

Molecular Properties:
- Polar Surface Area: 69.4 Ų
- LogP: 2.4