Molecule ID: mol9071

SMILES: OCC(O)CS

InChI: InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.46 IUPAC digitized pKa 0 » -1
9.51 IUPAC digitized pKa 0 » -1
9.51 AttenGpKa training set 0 » -1
9.51 QSARToolbox 0 » -1
9.66 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization