TL;DR: Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride (CAS 127905-98-0) is a chemical compound with molecular formula C14H16ClNOS and molecular weight 281.06412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2-methoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
Also Known As: 2-((2-Methoxyphenyl)thio)benzenemethanamine hydrochloride, Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride, [2-(2-methoxyphenyl)sulfanylphenyl]methanamine hydrochloride, 1-{2-[(2-Methoxyphenyl)sulfanyl]phenyl}methanamine--hydrogen chloride (1/1)
| Molecular Formula | C14H16ClNOS |
| Molecular Weight | 281.06412 g/mol |
| XLogP | 3.7269 |
| Topological Polar Surface Area (TPSA) | 60.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.06412 Da |
| Heavy Atoms | 18 |
| Complexity | 224.0 |
| SMILES | COC1=CC=CC=C1SC2=CC=CC=C2CN.Cl |
| InChIKey | FAGMTVQHMKFFOT-UHFFFAOYSA-N |
The XLogP value of 3.7269 indicates that Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride. Following Lipinski's Rule of Five, Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride 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 Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride is 127905-98-0.
The molecular formula of Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride is C14H16ClNOS.
The molecular weight of Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride is 281.06412 g/mol.
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