Molecule ID: mol431

SMILES: SCCCCS

InChI: InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.88 OCHEM 0 » -1
9.88 Hunt 0 » -1
9.98 AttenGpKa training set 0 » -1
10.70 AttenGpKa training set -1 » -2
11.50 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization