| Phytochemical Name : Sulforaphane |
| PCNDIDS0175 |
| Pubchem CID : 5350 |
| Molecular formula: C6H11NOS2 |
| Canonical SMILES : CS(=O)CCCCN=C=S |
Synonymes : sulforaphane|4478-93-7|DL-Sulforaphane|1-Isothiocyanato-4-(methylsulfinyl)butane|Sulforafan|D,L-Sulforaphane|1-Isothiocyanato-4-(methylsulfinyl)-butane|1-isothiocyanato-4-methylsulfinylbutane|Butane, 1-isothiocyanato-4-(methylsulfinyl)-|C6H11NOS2|CCRIS 7221|(+/-)-sulforaphane|CHEBI:47807|UNII-41684WL1GL|41684WL1GL|4-(Methylsulfinyl)Butyl Isothiocyanate|NSC-749790|(S)-1-Isothiocyanato-4-(methylsulfinyl)butane|R,S-Sulforaphane|Sulphoraphane|SFN|Sulforathane|S)-Sulforaphane|CHEMBL48802|methylsulfoxybutylisothiocyanate|SCHEMBL105202|GTPL6569|DTXSID8036732|SULFORAPHANE, (+/-)-|HMS3746M17|4-methylsulphinylbutyl glucosinolate|BCP31547|4-Methylsulfinyl butyl isothiocyanate|BDBM50073654|MFCD00198068|NSC749790|s5771|4-isothiocyanatobutyl methyl sulfoxide|AKOS006282481|CS-7809|NSC 749790|4-(Methylsulfinyl)-butyl isothiocyanate|SULFORAPHANE (+/-)-FORM [MI]|1-isothiocyanato-4-methylsulfinyl-butane|AC-34421|HY-13755|LS-45925|1-Isothiocyanato-4-(methylsulfinyl)butane #|FT-0674748|FT-0674749|FT-0674750|FT-0674751|U0142|F17072|A912495|Q424489|DL-Sulforaphane, >=90% (HPLC), synthetic, liquid|Q-100160|BRD-A58955223-001-02-0|ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)BUTYL ESTER|Z1198151975|(R)-Sulforaphane;(-)-Sulforaphane;4-Methylsulfinylbutyl isothiocyanate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.110 |
| Log Po/w (XLOGP3) : 1.410 |
| Log Po/w (WLOGP) : 2.110 |
| Log Po/w (MLOGP) : 1.840 |
| Log Po/w (SILICOS-IT) : 2.160 |
| Consensus Log Po/w : 1.930 |