Molecule ID: mol2579
SMILES: CC(C)(C)S
InChI: InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.05 | QSARToolbox | 0 » -1 |
| 11.14 | AttenGpKa training set | 0 » -1 |
| 11.14 | Datawarrior | 0 » -1 |
| 11.14 | OCHEM | 0 » -1 |
| 11.14 | QSARToolbox | 0 » -1 |
| 11.20 | OCHEM | 0 » -1 |
| 11.20 | OCHEM | 0 » -1 |
| 11.20 | OCHEM | 0 » -1 |
| 11.22 | IUPAC digitized pKa | 0 » -1 |
| 11.22 | OCHEM | 0 » -1 |
| 11.22 | Hunt | 0 » -1 |