Molecule ID: 7109

IUPAC Name: thianthrene

Description: The molecule is the organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin. It is a mancude organic heterotricyclic parent, an organosulfur heterocyclic compound and a member of thianthrenes.

SMILES: c1ccc2c(c1)Sc1ccccc1S2

SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]

InChI: InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

Molecular Properties:
- Polar Surface Area: 50.6 Ų
- LogP: 4.6