Molecule ID: 8447

IUPAC Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole

Description: The molecule is an organic disulfide resulting from the formal oxidative coupling of the thiol groups of two molecules of 1,3-benzothiazole-2-thiol. It is used as an accelerator in the rubber industry. It has a role as an allergen. It is an organic disulfide and a member of benzothiazoles. It derives from a 1,3-benzothiazole-2-thiol.

SMILES: c1ccc2sc(SSc3nc4ccccc4s3)nc2c1

SELFIES: [C][=C][C][=C][S][C][Branch1][S][S][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: 5.6