Molecule ID: mol4239
SMILES: CC1=NCCS1
InChI: InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.22 | QSARToolbox | 1 » 0 |
| 5.22 | IUPAC digitized pKa | 1 » 0 |
| 5.29 | Datawarrior | 1 » 0 |
| 5.29 | OCHEM | 1 » 0 |
| 5.37 | QSARToolbox | 1 » 0 |