Molecule ID: mol13754
SMILES: S=C1NC(=S)C(c2ccccc2)N1
InChI: InChI=1S/C9H8N2S2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.16 | OCHEM | 1 » 0 |
| -3.16 | Datawarrior | 1 » 0 |
| 8.15 | OCHEM | 0 » -1 |
| 8.15 | Datawarrior | 0 » -1 |