Molecule ID: 18343309

IUPAC Name: 2-methylsulfanylethanesulfonate

Description: The molecule is an organosulfonate oxoanion that is the conjugate base of methyl-CoM, arising from deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a methyl-CoM.

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

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

InChI: InChI=1S/C3H8O3S2/c1-7-2-3-8(4,5)6/h2-3H2,1H3,(H,4,5,6)/p-1

Molecular Properties:
- Polar Surface Area: 90.9 Ų
- LogP: -0.3