Molecule ID: 11989

IUPAC Name: 2-methylsulfanyl-1,3-benzothiazole

Description: The molecule is an organic sulfide that is the methyl thioether of 1,3-benzothiazole-2-thiol. It has a role as an aryl hydrocarbon receptor agonist and a xenobiotic metabolite. It is a member of benzothiazoles and a methyl sulfide. It derives from a hydride of a benzothiazole.

SMILES: CSc1nc2ccccc2s1

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

InChI: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 3.1