Molecule ID: mol7565
SMILES: CCC1CSC(C(C)C)=N1
InChI: InChI=1S/C8H15NS/c1-4-7-5-10-8(9-7)6(2)3/h6-7H,4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.28 | IUPAC digitized pKa | 1 » 0 |
| 5.28 | Datawarrior | 1 » 0 |
| 5.28 | OCHEM | 1 » 0 |
| 5.28 | OCHEM | 1 » 0 |
| 5.28 | QSARToolbox | 1 » 0 |