AC1LAS1X
methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethylimidazol-4-yl]propanoate
Also Known As: methyl 2-{5-[(3,5-dimethylphenyl)sulfanyl]-1,2-dimethyl-1h-imidazol-4-yl}propanoate|Methyl 2-(1,2-dimethyl-5-(3,5-methylphenylthio)-1H-imidazol-4-yl)propionate|methyl 2-[1,2-dimethyl-5-(3,5-dimethylphenylthio)-1H-imidazol-4-yl]propionate|Methyl 2-[1,2-dimethyl-5-(3,5-methylphenylthio)-1H-imidazol-4-yl]propionate|methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethyl-imidazol-4-yl]propanoate|methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethylimidazol-4-yl]propanoate
| Molecular Formula | C17H22N2O2S |
|---|---|
| Molecular Weight | 318.1402 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.1402 |
| Monoisotopic Mass | 318.1402 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 17954-23-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SC2=C(N=C(N2C)C)C(C)C(=O)OC)C |
| InChIKey | FXZJHAZJCMRJJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LAS1X (CAS 17954-23-3), with molecular formula C17H22N2O2S and molecular weight 318.1402 g/mol. IUPAC: methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethylimidazol-4-yl]propanoate.