| Pubchem ID | 13436 |
|---|---|
| CAS | 882-33-7 |
| IUPAC name | (phenyldisulfanyl)benzene |
| Synonyms | Disulfide, diphenyl|1,2-diphenyldisulfane|diphenyldisulfide|(Phenyldisulfanyl)benzene|Diphenyl disulphide|Biphenyl disulfide|Disulfide diphenyl|Phenyldithiobenzene |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C=C1)SSC2=CC=CC=C2 |
| InCheykey | InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H |
| 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 |
|---|---|---|---|---|
| 218.332 | 0 | 2 | 3 | 50.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Low Solubility | Binder | Very High | 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 |