Molecule ID: mol9225
SMILES: CCSCC(=O)O
InChI: InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.61 | IUPAC digitized pKa | 0 » -1 |
| 3.71 | IUPAC digitized pKa | 0 » -1 |
| 3.74 | AttenGpKa training set | 0 » -1 |
| 4.11 | IUPAC digitized pKa | 0 » -1 |