Molecule ID: 136181830

IUPAC Name: 2-(4-hydroxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-olate

Description: The molecule is the conjugate base of oxidized Photinus luciferin arising from removal of the acidic proton at the 5-position of the thiazol-4-one ring; major species at pH 7.3. It is a conjugate base of an oxidized Photinus luciferin.

SMILES: [O-]c1ccc2nc(-c3nc(O)cs3)sc2c1

SELFIES: [O-1][C][=C][C][=C][N][=C][Branch1][O][C][=N][C][Branch1][C][O][=C][S][Ring1][=Branch1][S][C][Ring1][O][=C][Ring1][#C]

InChI: InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-4,13-14H/p-1

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: 3.4