Molecule ID: mol14902
SMILES: C(CSCCc1nnn[nH]1)SCCc1nnn[nH]1
InChI: InChI=1S/C8H14N8S2/c1(7-9-13-14-10-7)3-17-5-6-18-4-2-8-11-15-16-12-8/h1-6H2,(H,9,10,13,14)(H,11,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | Datawarrior | 0 » -1 |
| 5.32 | OCHEM | -1 » -2 |
| 5.64 | QSARToolbox | -1 » -2 |
| 5.64 | Datawarrior | -1 » -2 |