Molecule ID: mol9504
SMILES: CSC(=S)N(C)CC(=O)O
InChI: InChI=1S/C5H9NO2S2/c1-6(3-4(7)8)5(9)10-2/h3H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.93 | IUPAC digitized pKa | 0 » -1 |
| 2.98 | Datawarrior | 0 » -1 |
| 2.98 | OCHEM | 0 » -1 |
| 3.04 | QSARToolbox | 0 » -1 |
| 3.04 | QSARToolbox | 0 » -1 |
| 3.04 | IUPAC digitized pKa | 0 » -1 |