Pubchem ID | 21828 |
---|---|
CAS | 5616-51-3 |
IUPAC name | 2-methyl-1,3-dithiolane |
Synonyms | 2-Methyl-1,3-dithiolane|2-Methyl-1,3-dithiacyclopentane|1,3-Dithiolane,2-methyl- |
Categories | Flavor enhancer |
SMILES | CC1SCCS1 |
InCheykey | InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
120.228 | 0 | 2 | 0 | 50.6 |
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 | Undefined | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |