| Phytochemical Name : Thiosulfinate |
| PCNDIDT0055 |
| Pubchem CID : 58219327 |
| Molecular formula: C6H10OS2 |
| Canonical SMILES : CC=CSS(=O)C=CC |
Synonymes : thiosulfinate|Propenyl-SS(O)-Propenyl|SCHEMBL12728371|CHEBI:183507|1-Propenyl(1-propenylthio) sulfoxide|1-hydroxy-1,2-di[(1E)-1-propen-1-yl]disulfanium|(E,E)-S-prop-1-en-1-yl prop-1-ene-1-sulfinothioate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.360 |
| Log Po/w (XLOGP3) : 1.470 |
| Log Po/w (WLOGP) : 3.320 |
| Log Po/w (MLOGP) : 1.180 |
| Log Po/w (SILICOS-IT) : 0.620 |
| Consensus Log Po/w : 1.790 |