Molecule ID: 216840

IUPAC Name: 2,12-dimethyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene

Description: The molecule is an organic heteropentacyclic compound that is p-xylene in which the 2-3 and 5-6 bonds of the benzene ring have each been fused with the b edge of a benzothiophene moiety. It has a role as a mutagen. It is an organic heteropentacyclic compound and an organosulfur heterocyclic compound.

SMILES: Cc1c2sc3ccccc3c2c(C)c2sc3ccccc3c12

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

InChI: InChI=1S/C20H14S2/c1-11-17-13-7-3-5-9-15(13)22-20(17)12(2)18-14-8-4-6-10-16(14)21-19(11)18/h3-10H,1-2H3

Molecular Properties:
- Polar Surface Area: 56.5 Ų
- LogP: 7.4