Molecule ID: mol13252
SMILES: CC(C)CCSC(=N)c1ccccc1
InChI: InChI=1S/C12H17NS/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.43 | Datawarrior | 1 » 0 |
| 8.43 | OCHEM | 1 » 0 |
| 8.43 | QSARToolbox | 1 » 0 |