Molecule ID: mol12410

SMILES: O=C1CC(S)C(=O)N1

InChI: InChI=1S/C4H5NO2S/c6-3-1-2(8)4(7)5-3/h2,8H,1H2,(H,5,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.65 Datawarrior 0 » -1
6.65 OCHEM 0 » -1
6.70 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization