TL;DR: Acetophenone, 2-(1-imidazolyl)-4'-(phenylthio)- (CAS 73932-19-1) is a chemical compound with molecular formula C17H14N2OS and molecular weight 294.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanone
Also Known As: 2-(1-Imidazolyl)-4'-(phenylthio)acetophenone, ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-(PHENYLTHIO)-, 2-imidazol-1-yl-1-(4-phenylsulfanylphenyl)ethanone, 2-(1H-imidazol-1-yl)-1-[4-(phenylsulfanyl)phenyl]ethan-1-one, alpha-(1H-Imidazol-1-yl)-4 -(phenylthio)acetophenone
| Molecular Formula | C17H14N2OS |
| Molecular Weight | 294.08267 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.08267 Da |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)CN3C=CN=C3 |
| InChIKey | LNDAIUCQTGDFAK-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Acetophenone, 2-(1-imidazolyl)-4'-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 2-(1-imidazolyl)-4'-(phenylthio)-. Following Lipinski's Rule of Five, Acetophenone, 2-(1-imidazolyl)-4'-(phenylthio)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetophenone, 2-(1-imidazolyl)-4'-(phenylthio)- is 73932-19-1.
The molecular formula of Acetophenone, 2-(1-imidazolyl)-4'-(phenylthio)- is C17H14N2OS.
The molecular weight of Acetophenone, 2-(1-imidazolyl)-4'-(phenylthio)- is 294.08267 g/mol.
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