Molecule ID: mol9254
SMILES: CC(C)(S)CN
InChI: InChI=1S/C4H11NS/c1-4(2,6)3-5/h6H,3,5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.07 | IUPAC digitized pKa | 1 » 0 |
| 8.48 | OCHEM | 1 » 0 |
| 8.48 | QSARToolbox | 1 » 0 |
| 8.48 | Datawarrior | 1 » 0 |
| 10.77 | IUPAC digitized pKa | 0 » -1 |
| 11.00 | Datawarrior | 0 » -1 |
| 11.00 | OCHEM | 0 » -1 |
| 11.00 | QSARToolbox | 0 » -1 |