| Pubchem ID | 23347 |
|---|---|
| CAS | 6911-51-9 |
| IUPAC name | 2-(thiophen-2-yldisulfanyl)thiophene |
| Synonyms | Thiophene, 2,2'-dithiobis-|1,2-Di(thiophen-2-yl)disulfane|2,2'-Dithiobis(thiophene)|Di-2-thienyl disulfide |
| Categories | Flavor enhancer |
| SMILES | C1=CSC(=C1)SSC2=CC=CS2 |
| InCheykey | InChI=1S/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 230.376 | 0 | 4 | 3 | 107.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | Very High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |