Molecule ID: mol3150
SMILES: NCCSCCN
InChI: InChI=1S/C4H12N2S/c5-1-3-7-4-2-6/h1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.28 | IUPAC digitized pKa | 2 » 1 |
| 8.84 | IUPAC digitized pKa | 2 » 1 |
| 8.84 | Datawarrior | 2 » 1 |
| 8.84 | AttenGpKa training set | 2 » 1 |
| 9.11 | IUPAC digitized pKa | 2 » 1 |
| 9.14 | OCHEM | 2 » 1 |
| 9.24 | OCHEM | 2 » 1 |
| 9.34 | OCHEM | 2 » 1 |
| 9.64 | IUPAC digitized pKa | 1 » 0 |
| 9.64 | Datawarrior | 1 » 0 |
| 9.64 | AttenGpKa training set | 1 » 0 |
| 9.81 | IUPAC digitized pKa | 1 » 0 |
| 10.65 | IUPAC digitized pKa | 1 » 0 |