Molecule ID: mol13476
SMILES: CCCSC(C)C(=O)O
InChI: InChI=1S/C6H12O2S/c1-3-4-9-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | OCHEM | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | Datawarrior | 0 » -1 |
| 3.82 | OCHEM | 0 » -1 |