| Pubchem ID | 91665989 |
|---|---|
| CAS | 55764-31-3 |
| IUPAC name | 3-(2,5-dimethylfuran-3-yl)sulfanylfuran-2-carboxylate |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC1=CC(=C(O1)C)SC2=C(OC=C2)C(=O)[O-] |
| InCheykey | InChI=1S/C11H10O4S/c1-6-5-9(7(2)15-6)16-8-3-4-14-10(8)11(12)13/h3-5H,1-2H3,(H,12,13)/p-1 |
| 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 |
|---|---|---|---|---|
| 237.249 | 0 | 5 | 2 | 91.7 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | Low | 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 |