| Pubchem ID | 16315 |
|---|---|
| CAS | 2050-87-5 |
| IUPAC name | 3-(prop-2-enyltrisulfanyl)prop-1-ene |
| Synonyms | Allitridin|Trisulfide, di-2-propenyl|Diallyltrisulfide|Diallyl trisulphide|allitridum|Dasuansu|diallyltrisulfane|Di-2-propenyl trisulfide|Garlic oil |
| Categories | Flavor enhancer |
| SMILES | C=CCSSSCC=C |
| InCheykey | InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/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 |
|---|---|---|---|---|
| 178.326 | 0 | 3 | 6 | 75.9 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | Very High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |