TL;DR: N-Methyl-2-[(4-methylphenyl)thio]ethanamine (CAS 115335-16-5) is a chemical compound with molecular formula C10H15NS and molecular weight 181.09251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-2-(4-methylphenyl)sulfanylethanamine
Also Known As: N-METHYL-2-[(4-METHYLPHENYL)THIO]ETHANAMINE, CHEMBRDG-BB 9071937, N-Methyl-2-(p-tolylthio)ethanamine, N-methyl-2-(4-methylphenyl)sulfanylethanamine, N-methyl-2-(4-methylphenyl)sulfanyl-ethanamine
| Molecular Formula | C10H15NS |
| Molecular Weight | 181.09251 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.09251 Da |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
| SMILES | CC1=CC=C(C=C1)SCCNC |
| InChIKey | OKXZTCFMGIUXTB-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-2-[(4-methylphenyl)thio]ethanamine. With a topological polar surface area (TPSA) of 37.3 Ų, N-Methyl-2-[(4-methylphenyl)thio]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-2-[(4-methylphenyl)thio]ethanamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Methyl-2-[(4-methylphenyl)thio]ethanamine is 115335-16-5.
The molecular formula of N-Methyl-2-[(4-methylphenyl)thio]ethanamine is C10H15NS.
The molecular weight of N-Methyl-2-[(4-methylphenyl)thio]ethanamine is 181.09251 g/mol.
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