| Pubchem ID | 526661 |
|---|---|
| CAS | 52558-99-3 |
| IUPAC name | 4-methyl-2,5-dihydro-1,3-thiazole |
| Synonyms | 4-methyl-2,5-dihydro-1,3-thiazole|3-Thiazoline, 4-methyl-|FEMA No. 4644|Thiazole, 2,5-dihydro-4-methyl- |
| Categories | Flavor enhancer |
| SMILES | CC1=NCSC1 |
| InCheykey | InChI=1S/C4H7NS/c1-4-2-6-3-5-4/h2-3H2,1H3 |
| 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 |
|---|---|---|---|---|
| 101.167 | 0 | 2 | 0 | 37.7 |
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 | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |