Molecule ID: mol1934
SMILES: O=C(O)CS
InChI: InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.92 | QSARToolbox | 0 » -1 |
| 2.92 | QSARToolbox | 0 » -1 |
| 3.38 | Datawarrior | 0 » -1 |
| 3.38 | OCHEM | 0 » -1 |
| 3.42 | IUPAC digitized pKa | 0 » -1 |
| 3.42 | IUPAC digitized pKa | 0 » -1 |
| 3.42 | QSARToolbox | 0 » -1 |
| 3.42 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.52 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | IUPAC digitized pKa | 0 » -1 |
| 3.59 | OCHEM | 0 » -1 |
| 3.59 | IUPAC digitized pKa | 0 » -1 |
| 3.60 | IUPAC digitized pKa | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.61 | QSARToolbox | 0 » -1 |
| 3.61 | QSARToolbox | 0 » -1 |
| 3.66 | IUPAC digitized pKa | 0 » -1 |
| 3.67 | QSARToolbox | 0 » -1 |
| 3.67 | QSARToolbox | 0 » -1 |
| 3.67 | QSARToolbox | 0 » -1 |
| 3.68 | IUPAC digitized pKa | 0 » -1 |
| 3.68 | QSARToolbox | 0 » -1 |
| 3.69 | AttenGpKa training set | 0 » -1 |
| 9.74 | IUPAC digitized pKa | -1 » -2 |
| 9.78 | QSARToolbox | -1 » -2 |
| 9.78 | QSARToolbox | -1 » -2 |
| 9.87 | QSARToolbox | -1 » -2 |
| 9.87 | QSARToolbox | -1 » -2 |
| 9.88 | QSARToolbox | -1 » -2 |
| 9.88 | QSARToolbox | -1 » -2 |
| 9.93 | QSARToolbox | -1 » -2 |
| 9.93 | QSARToolbox | -1 » -2 |
| 9.95 | IUPAC digitized pKa | -1 » -2 |
| 10.07 | IUPAC digitized pKa | -1 » -2 |
| 10.08 | QSARToolbox | -1 » -2 |
| 10.08 | QSARToolbox | -1 » -2 |
| 10.16 | Datawarrior | -1 » -2 |
| 10.20 | QSARToolbox | -1 » -2 |
| 10.20 | QSARToolbox | -1 » -2 |
| 10.20 | IUPAC digitized pKa | -1 » -2 |
| 10.20 | IUPAC digitized pKa | -1 » -2 |
| 10.22 | IUPAC digitized pKa | -1 » -2 |
| 10.23 | QSARToolbox | -1 » -2 |
| 10.23 | QSARToolbox | -1 » -2 |
| 10.30 | OCHEM | -1 » -2 |
| 10.35 | IUPAC digitized pKa | -1 » -2 |
| 10.40 | QSARToolbox | -1 » -2 |
| 10.40 | QSARToolbox | -1 » -2 |
| 10.40 | OCHEM | -1 » -2 |
| 10.40 | Hunt | -1 » -2 |
| 10.40 | Hunt | -1 » -2 |
| 10.46 | AttenGpKa training set | -1 » -2 |
| 10.48 | IUPAC digitized pKa | -1 » -2 |
| 10.55 | IUPAC digitized pKa | -1 » -2 |
| 10.55 | QSARToolbox | -1 » -2 |
| 10.55 | QSARToolbox | -1 » -2 |