| Pubchem ID | 519732 |
|---|---|
| CAS | 19961-52-5 |
| IUPAC name | 5-ethyl-2-methyl-1,3-thiazole |
| Synonyms | 5-Ethyl-2-methylthiazole|5-Ethyl-2-methyl-1,3-thiazole|Thiazole, 5-ethyl-2-methyl-|2-Methyl-5-ethylthiazole |
| Categories | Flavor enhancer |
| SMILES | CCC1=CN=C(S1)C |
| InCheykey | InChI=1S/C6H9NS/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 127.205 | 0 | 2 | 1 | 41.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | 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 | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |