Molecule ID: mol10662
SMILES: CC(C)c1csc(C(=O)O)c1
InChI: InChI=1S/C8H10O2S/c1-5(2)6-3-7(8(9)10)11-4-6/h3-5H,1-2H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.62 | QSARToolbox | 0 » -1 |
| 3.64 | Datawarrior | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.66 | IUPAC digitized pKa | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |
| 3.66 | QSARToolbox | 0 » -1 |