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 | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
114.206 | 0 | 1 | 4 | 25.3 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |