Molecule ID: mol10248
SMILES: CC(SC(C)(C)C(=O)O)C(=O)O
InChI: InChI=1S/C7H12O4S/c1-4(5(8)9)12-7(2,3)6(10)11/h4H,1-3H3,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 3.62 | QSARToolbox | 0 » -1 |
| 4.31 | IUPAC digitized pKa | -1 » -2 |
| 4.82 | QSARToolbox | -1 » -2 |