Molecule ID: 91825651

IUPAC Name: [(1R,2S)-2-hydroxy-1-sulfanylpropyl]phosphonic acid

Description: The molecule is a member of the class of phosphonic acids that is propylphosphonic acid substituted by thio and hydroxy groups at positions 1 and 2 respectively (the 1R,2S-stereoisomer) It is a member of phosphonic acids, a secondary alcohol and an alkanethiol. It is a conjugate acid of a [(1R,2S)-2-hydroxy-1-thiopropyl]phosphonate(2-).

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][O]

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

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: -1.4