| Pubchem ID | 11617 |
|---|---|
| CAS | 592-88-1 |
| IUPAC name | 3-prop-2-enylsulfanylprop-1-ene |
| Synonyms | 1-Propene, 3,3'-thiobis-|Diallyl sulphide|Thioallyl ether|Oil garlic|Diallyl thioether|Allyl monosulfide|diallylsulfide|Diallyl monosulfide|2-Propenyl sulphide|Allyl sulphide|3,3-Thiobis(1-propene)|di-2-Propenyl sulfide |
| Categories | Flavor enhancer |
| SMILES | C=CCSCC=C |
| InCheykey | InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 114.206 | 0 | 1 | 4 | 25.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Optimal Solubility | Weaker / Non binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |