TL;DR: Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride (CAS 117596-37-9) is a chemical compound with molecular formula C19H23ClN2S and molecular weight 346.12704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-phenylsulfanylphenyl)-1-piperidin-1-ylethanimine;hydrochloride
Also Known As: 1-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)piperidine hydrochloride, N,N-Pentamethylene-2-((phenylthio)phenyl)acetamidine hydrochloride, Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride, 2-(2-phenylsulfanylphenyl)-1-piperidin-1-ylethanimine hydrochloride, 2-[2-(Phenylsulfanyl)phenyl]-1-(piperidin-1-yl)ethan-1-imine--hydrogen chloride (1/1)
| Molecular Formula | C19H23ClN2S |
| Molecular Weight | 346.12704 g/mol |
| XLogP | 5.26527 |
| Topological Polar Surface Area (TPSA) | 52.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.12704 Da |
| Heavy Atoms | 23 |
| Complexity | 345.0 |
| SMILES | C1CCN(CC1)C(=N)CC2=CC=CC=C2SC3=CC=CC=C3.Cl |
| InChIKey | MAYKJZWBCOEMLD-UHFFFAOYSA-N |
The XLogP value of 5.26527 indicates that Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride is 117596-37-9.
The molecular formula of Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride is C19H23ClN2S.
The molecular weight of Piperidine, 1-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride is 346.12704 g/mol.
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