Molecule ID: 6329075

IUPAC Name: 3-phenyl-2H-oxadiazol-3-ium-5-thione

Description: The molecule is a member of the class of oxadiazoles that is 1,2,3-oxadiazole carrying phenyl and thioxo substituents at positions 3 and 5 respectively. It is an organic cation, an oxadiazole and a thiocarbonyl compound.

SMILES: S=c1c[n+](-c2ccccc2)[nH]o1

SELFIES: [S][=C][C][=N+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][O][Ring1][O]

InChI: InChI=1S/C8H6N2OS/c12-8-6-10(9-11-8)7-4-2-1-3-5-7/h1-6H/p+1

Molecular Properties:
- Polar Surface Area: 56.4 Ų
- LogP: 2.5