| Pubchem ID | 93236 |
|---|---|
| CAS | 42474-44-2 |
| IUPAC name | (methyldisulfanyl)-methylsulfanylmethane |
| Synonyms | 2,3,5-Trithiahexane|Disulfide, methyl (methylthio)methyl|Methyl methylthiomethyl disulfide|Methyl (methylthio)methyl disulfide |
| Categories | Flavor enhancer |
| SMILES | CSCSSC |
| InCheykey | InChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 140.277 | 0 | 3 | 3 | 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 |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |