Molecule ID: mol2230
SMILES: OC(=S)CCCCC(O)=S
InChI: InChI=1S/C6H10O2S2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H,7,9)(H,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | QSARToolbox | 0 » -1 |
| 3.25 | QSARToolbox | 0 » -1 |
| 3.38 | OCHEM | 0 » -1 |
| 3.38 | Hunt | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | Hunt | 0 » -1 |