Molecule ID: 25245616

IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl phosphate

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 4-methyl-5-(2-phosphonooxyethyl)thiazole; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 4-methyl-5-(2-phosphonooxyethyl)thiazole.

SMILES: Cc1ncsc1CCOP(=O)([O-])[O-]

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

InChI: InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)/p-2

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: -0.4