Molecule ID: mol855
SMILES: CSCCN
InChI: InChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.89 | IUPAC digitized pKa | 1 » 0 |
| 9.18 | IUPAC digitized pKa | 1 » 0 |
| 9.18 | OCHEM | 1 » 0 |
| 9.18 | QSARToolbox | 1 » 0 |
| 9.26 | AttenGpKa training set | 1 » 0 |
| 9.41 | OCHEM | 1 » 0 |
| 9.41 | Datawarrior | 1 » 0 |
| 9.49 | QSARToolbox | 1 » 0 |
| 9.49 | IUPAC digitized pKa | 1 » 0 |
| 9.49 | OCHEM | 1 » 0 |
| 9.49 | Hunt | 1 » 0 |
| 9.49 | OCHEM | 1 » 0 |
| 9.56 | IUPAC digitized pKa | 1 » 0 |
| 9.80 | IUPAC digitized pKa | 1 » 0 |