Molecule ID: 64965

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

Description: The molecule is the bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium. It has a role as a dye and a colorimetric reagent. It contains a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.

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

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].[Br-1]

InChI: InChI=1S/C18H16N5S.BrH/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;1H/q+1;/p-1

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