Molecule ID: mol28212
SMILES: O[C@H](CS)[C@H](O)CS
InChI: InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | OCHEM | 0 » -1 |
| 8.90 | OCHEM | 0 » -1 |
| 9.00 | AttenGpKa training set | 0 » -1 |
| 9.20 | QSARToolbox | -1 » -2 |
| 10.10 | AttenGpKa training set | -1 » -2 |
| 10.10 | QSARToolbox | -1 » -2 |