TL;DR: Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride (CAS 117596-39-1) is a chemical compound with molecular formula C18H21ClN2OS and molecular weight 348.10632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride
Also Known As: 4-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)morpholine hydrochloride, Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride, N,N-(3-Oxapentane-1,5-diyl)-(2-(phenylthio)phenyl)acetamidine hydrochloride, 1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine hydrochloride, 1-(Morpholin-4-yl)-2-[2-(phenylsulfanyl)phenyl]ethan-1-imine--hydrogen chloride (1/1)
| Molecular Formula | C18H21ClN2OS |
| Molecular Weight | 348.10632 g/mol |
| XLogP | 4.11157 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.10632 Da |
| Heavy Atoms | 23 |
| Complexity | 351.0 |
| SMILES | C1COCCN1C(=N)CC2=CC=CC=C2SC3=CC=CC=C3.Cl |
| InChIKey | QJBXPPNDDYSTCX-UHFFFAOYSA-N |
The XLogP value of 4.11157 indicates that Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride has 2 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 Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride is 117596-39-1.
The molecular formula of Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride is C18H21ClN2OS.
The molecular weight of Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride is 348.10632 g/mol.
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