Molecule ID: 4077

IUPAC Name: 2-sulfanylethanesulfonate

Description: The molecule is an organosulfonate oxoanion that is the conjugate base of coenzyme M; major species at pH 7.3. It is a conjugate base of a coenzyme M.

SMILES: O=S(=O)([O-])CCS

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

InChI: InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)/p-1

Molecular Properties:
- Polar Surface Area: 66.6 Ų
- LogP: -0.7