Molecule ID: mol443
SMILES: NCCS
InChI: InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | IUPAC digitized pKa | 1 » 0 |
| 8.05 | IUPAC digitized pKa | 1 » 0 |
| 8.15 | Baltruschat ChEMBL | 1 » 0 |
| 8.19 | IUPAC digitized pKa | 1 » 0 |
| 8.19 | IUPAC digitized pKa | 1 » 0 |
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.23 | IUPAC digitized pKa | 1 » 0 |
| 8.25 | AttenGpKa training set | 1 » 0 |
| 8.27 | IUPAC digitized pKa | 1 » 0 |
| 8.27 | OCHEM | 1 » 0 |
| 8.27 | OCHEM | 1 » 0 |
| 8.27 | QSARToolbox | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | Hunt | 1 » 0 |
| 8.30 | Hunt | 1 » 0 |
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | IUPAC digitized pKa | 1 » 0 |
| 8.35 | OCHEM | 1 » 0 |
| 8.40 | OCHEM | 1 » 0 |
| 8.40 | Datawarrior | 1 » 0 |
| 8.60 | QSARToolbox | 1 » 0 |
| 9.11 | Baltruschat ChEMBL | 1 » 0 |
| 10.30 | OCHEM | 0 » -1 |
| 10.53 | IUPAC digitized pKa | 0 » -1 |
| 10.53 | OCHEM | 0 » -1 |
| 10.53 | OCHEM | 0 » -1 |
| 10.53 | AttenGpKa training set | 0 » -1 |
| 10.73 | IUPAC digitized pKa | 0 » -1 |
| 10.73 | Datawarrior | 0 » -1 |
| 10.73 | OCHEM | 0 » -1 |
| 10.75 | IUPAC digitized pKa | 0 » -1 |
| 10.81 | IUPAC digitized pKa | 0 » -1 |