Pubchem ID | 48420792 |
---|---|
CAS | 68603-42-9 |
IUPAC name | [1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2,5-dimethylthiophene-3-carboxylate |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CC1=CC(=C(S1)C)C(=O)OC(CN2C=NC=N2)C3=CC=C(C=C3)Cl |
InCheykey | InChI=1S/C17H16ClN3O2S/c1-11-7-15(12(2)24-11)17(22)23-16(8-21-10-19-9-20-21)13-3-5-14(18)6-4-13/h3-7,9-10,16H,8H2,1-2H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
361.844 | 0 | 5 | 6 | 85.2 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |