| Pubchem ID | 16591 |
|---|---|
| CAS | 2179-59-1 |
| IUPAC name | 1-(prop-2-enyldisulfanyl)propane |
| Synonyms | 1-Allyl-2-propyldisulfane|Disulfide, 2-propenyl propyl|4,5-Dithia-1-octene|Allyl propyl disulphide|2-Propenyl propyl disulfide|Disulfide, allyl propyl|Propyl 2-propenyl disulfide |
| Categories | Flavor enhancer |
| SMILES | CCCSSCC=C |
| InCheykey | InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3 |
| 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 |
|---|---|---|---|---|
| 148.282 | 0 | 2 | 5 | 50.6 |
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 | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |