Molecule ID: mol5277
SMILES: NCCS(=O)(=O)O
InChI: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.33 | IUPAC digitized pKa | 1 » 0 |
| 1.50 | IUPAC digitized pKa | 1 » 0 |
| 1.50 | IUPAC digitized pKa | 1 » 0 |
| 1.50 | OCHEM | 1 » 0 |
| 1.50 | OCHEM | 1 » 0 |
| 1.50 | QSARToolbox | 1 » 0 |
| 1.50 | QSARToolbox | 1 » 0 |
| 1.51 | AttenGpKa training set | 1 » 0 |
| 8.50 | IUPAC digitized pKa | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.60 | IUPAC digitized pKa | 0 » -1 |
| 8.71 | IUPAC digitized pKa | 0 » -1 |
| 8.74 | IUPAC digitized pKa | 0 » -1 |
| 8.82 | IUPAC digitized pKa | 0 » -1 |
| 8.94 | IUPAC digitized pKa | 0 » -1 |
| 8.95 | IUPAC digitized pKa | 0 » -1 |
| 9.01 | QSARToolbox | 0 » -1 |
| 9.03 | AttenGpKa training set | 0 » -1 |
| 9.06 | OCHEM | 0 » -1 |
| 9.06 | OCHEM | 0 » -1 |
| 9.06 | QSARToolbox | 0 » -1 |
| 9.06 | IUPAC digitized pKa | 0 » -1 |
| 9.07 | IUPAC digitized pKa | 0 » -1 |
| 9.08 | QSARToolbox | 0 » -1 |
| 9.11 | IUPAC digitized pKa | 0 » -1 |
| 9.18 | IUPAC digitized pKa | 0 » -1 |
| 9.19 | IUPAC digitized pKa | 0 » -1 |
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.45 | IUPAC digitized pKa | 0 » -1 |
| 9.92 | IUPAC digitized pKa | 0 » -1 |