TL;DR: 2-Imidazoline, 2-phenacylthio-, hydrochloride (CAS 74038-86-1) is a chemical compound with molecular formula C11H12ClN2OS- and molecular weight 255.03589 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone chloride
Also Known As: 2-Phenacylthio-2-imidazolinium chloride, 2-IMIDAZOLINE, 2-PHENACYLTHIO-, HYDROCHLORIDE, 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone chloride, Ethanone, 2-[(4,5-dihydro-1H-imidazol-2-yl)thio]-1-phenyl-, monohydrochloride
| Molecular Formula | C11H12ClN2OS- |
| Molecular Weight | 255.03589 g/mol |
| XLogP | -1.43 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.03589 Da |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
| SMILES | C1CN=C(N1)SCC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | XYXXHORNWHQVEI-UHFFFAOYSA-M |
The XLogP value of -1.43 indicates that 2-Imidazoline, 2-phenacylthio-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imidazoline, 2-phenacylthio-, hydrochloride. Following Lipinski's Rule of Five, 2-Imidazoline, 2-phenacylthio-, hydrochloride has 1 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 2-Imidazoline, 2-phenacylthio-, hydrochloride is 74038-86-1.
The molecular formula of 2-Imidazoline, 2-phenacylthio-, hydrochloride is C11H12ClN2OS-.
The molecular weight of 2-Imidazoline, 2-phenacylthio-, hydrochloride is 255.03589 g/mol.
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