Molecule ID: 91825650

IUPAC Name: (1R,2S)-1-phosphonato-1-sulfanylpropan-2-ol

Description: The molecule is an organophosphonate oxoanion obtained by deprotonation of the phosphonate OH groups of [(1R,2S)-2-hydroxy-1-thiopropyl]phosphonic acid; major species at pH 7.3. It is a conjugate base of a [(1R,2S)-2-hydroxy-1-thiopropyl]phosphonic acid.

SMILES: C[C@H](O)[C@@H](S)P(=O)([O-])[O-]

SELFIES: [C][C@H1][Branch1][C][O][C@@H1][Branch1][C][S][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C3H9O4PS/c1-2(4)3(9)8(5,6)7/h2-4,9H,1H3,(H2,5,6,7)/p-2/t2-,3+/m0/s1

Molecular Properties:
- Polar Surface Area: 84.4 Ų
- LogP: -1.6