| Phytochemical Name : Isopropyl methyl sulfide |
| PCNDIDI0109 |
| Pubchem CID : 15246 |
| Molecular formula: C4H10S |
| Canonical SMILES : CC(C)SC |
Synonymes : Isopropyl methyl sulfide|1551-21-9|2-methylsulfanylpropane|Propane, 2-(methylthio)-|Methyl isopropyl sulfide|Sulfide, isopropyl methyl|2-(Methylthio)propane|Isopropyl methyl sulphide|3-METHYL-2-THIABUTANE|2-(Methylsulfanyl)propane|isopropylmethylsulfide|isopropyl(methyl)sulfane|2-(methylthio)-propane|2-(Methylsulfanyl)propane #|2-(Methylthio)propane, 9CI|Isopropyl methyl sulfide, 8CI|DTXSID40165809|MFCD00015035|AKOS015897431|FT-0652457|I0483|D91165|A809610 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.890 |
| Log Po/w (XLOGP3) : 1.680 |
| Log Po/w (WLOGP) : 1.760 |
| Log Po/w (MLOGP) : 1.820 |
| Log Po/w (SILICOS-IT) : 0.970 |
| Consensus Log Po/w : 1.620 |