Molecule ID: mol9099
SMILES: O=C1CSC(=S)N1
InChI: InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.18 | IUPAC digitized pKa | 0 » -1 |
| 6.16 | AttenGpKa training set | 0 » -1 |
| 6.48 | Datawarrior | 0 » -1 |
| 6.48 | OCHEM | 0 » -1 |
| 6.87 | OCHEM | 0 » -1 |