| Pubchem ID | 62510 |
|---|---|
| CAS | 3581-91-7 |
| IUPAC name | 4,5-dimethyl-1,3-thiazole |
| Synonyms | Thiazole, 4,5-dimethyl-|4,5-Dimethyl-1,3-thiazole|4,5-dimethyl-thiazole|4,5-dimethyl thiazole|FEMA No. 3274 |
| Categories | Flavor enhancer |
| SMILES | CC1=C(SC=N1)C |
| InCheykey | InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 113.178 | 0 | 2 | 0 | 41.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |