| Pubchem ID | 19310 |
|---|---|
| CAS | 3658-80-8 |
| IUPAC name | (methyltrisulfanyl)methane |
| Synonyms | Trisulfide, dimethyl|Methyl trisulfide|Dimethyl trisulphide|2,3,4-Trithiapentane |
| Categories | Flavor enhancer |
| SMILES | CSSSC |
| InCheykey | InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3 |
| 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 |
|---|---|---|---|---|
| 126.25 | 0 | 3 | 2 | 75.9 |
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 | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |