Molecule ID: mol452
SMILES: O=S(=O)(O)CCS
InChI: InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.08 | QSARToolbox | -1 » -2 |
| 9.08 | IUPAC digitized pKa | -1 » -2 |
| 9.08 | OCHEM | -1 » -2 |
| 9.08 | AttenGpKa training set | -1 » -2 |
| 9.20 | OCHEM | -1 » -2 |
| 9.20 | Hunt | -1 » -2 |
| 9.20 | Hunt | -1 » -2 |
| 9.53 | QSARToolbox | -1 » -2 |
| 9.53 | IUPAC digitized pKa | -1 » -2 |
| 9.80 | QSARToolbox | -1 » -2 |