TL;DR: 2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide (CAS 36275-22-6) is a chemical compound with molecular formula C11H12BrClN2S and molecular weight 317.95932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-yl)ethanethione bromide
Also Known As: 2-(p-Chlorophenacylthio)-2-imidazolinium bromide, 2-IMIDAZOLINE, 2-(p-CHLOROPHENACYLTHIO)-, HYDROBROMIDE, 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-yl)ethanethione bromide, Ethanone, 1-(4-chlorophenyl)-2-[(4,5-dihydro-1H-imidazol-2-yl)thio]-, monohydrobromide
| Molecular Formula | C11H12BrClN2S |
| Molecular Weight | 317.95932 g/mol |
| XLogP | -1.57 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.95932 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | C1CN=C([NH2+]1)CC(=S)C2=CC=C(C=C2)Cl.[Br-] |
| InChIKey | JVAJEOUUEOQVID-UHFFFAOYSA-N |
The XLogP value of -1.57 indicates that 2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide. Following Lipinski's Rule of Five, 2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide has 1 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 2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide is 36275-22-6.
The molecular formula of 2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide is C11H12BrClN2S.
The molecular weight of 2-Imidazoline, 2-(p-chlorophenacylthio)-, hydrobromide is 317.95932 g/mol.
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