TL;DR: Ethanone, 1-(5-bromo-2-hydroxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride (CAS 160518-36-5) is a chemical compound with molecular formula C11H12BrClN2O2S and molecular weight 349.94913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-bromo-2-hydroxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrochloride
Also Known As: Ethanone, 1-(5-bromo-2-hydroxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride, Acetophenone, 5'-bromo-2'-hydroxy-2-(2-imidazolin-2-ylthio)-, monohydrochloride, Acetophenone,5-bromo-2-hydroxy-2-(2-imidazolin-2-ylthio)-hcl, ACETOPHENONE,5-BROMO-2-HYDROXY-2-(2-IMIDAZOLIN-2-YLTHIO)- HCL, 1-(5-bromo-2-hydroxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone hydrochloride
| Molecular Formula | C11H12BrClN2O2S |
| Molecular Weight | 349.94913 g/mol |
| XLogP | 2.4516 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.94913 Da |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
| SMILES | C1CN=C(N1)SCC(=O)C2=C(C=CC(=C2)Br)O.Cl |
| InChIKey | YBLHENQITDHMBU-UHFFFAOYSA-N |
The XLogP value of 2.4516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(5-bromo-2-hydroxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(5-bromo-2-hydroxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride. Following Lipinski's Rule of Five, Ethanone, 1-(5-bromo-2-hydroxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 1-(5-bromo-2-hydroxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is 160518-36-5.
The molecular formula of Ethanone, 1-(5-bromo-2-hydroxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is C11H12BrClN2O2S.
The molecular weight of Ethanone, 1-(5-bromo-2-hydroxyphenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is 349.94913 g/mol.
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