Molecule ID: 9548759

IUPAC Name: thiomorpholine-3-carboxylate

Description: The molecule is the conjugate base of thiomorpholine-3-carboxylic acid. It is a member of thiomorpholines and a monocarboxylic acid anion. It is a conjugate base of a thiomorpholine-3-carboxylic acid and a thiomorpholine-3-carboxylic acid zwitterion.

SMILES: O=C([O-])C1CSCCN1

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

InChI: InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/p-1

Molecular Properties:
- Polar Surface Area: 77.5 Ų
- LogP: -1.8