Pubchem ID | 77652 |
---|---|
CAS | 4032-80-8 |
IUPAC name | 1-methyl-2-[(2-methylphenyl)disulfanyl]benzene |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CC1=CC=CC=C1SSC2=CC=CC=C2C |
InCheykey | InChI=1S/C14H14S2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h3-10H,1-2H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
246.386 | 0 | 2 | 3 | 50.6 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |