Molecule ID: 64966

IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole

Description: The molecule is an organic cation that is tetrazolium substituted with a dimethylthiazolyl group and two phenyl groups. The cation exists in two resonance forms. It is a member of tetrazoles and an organic cation.

SMILES: Cc1nc(-[n+]2nc(-c3ccccc3)nn2-c2ccccc2)sc1C

SELFIES: [C][C][N][=C][Branch2][Ring1][#Branch2][N+1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring2][Ring1][=Branch1][C]

InChI: InChI=1S/C18H16N5S/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16/h3-12H,1-2H3/q+1

Molecular Properties:
- Polar Surface Area: 75.7 Ų
- LogP: 6.5