TL;DR: Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride (CAS 139009-30-6) is a chemical compound with molecular formula C15H17Cl2NS and molecular weight 313.04587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
Also Known As: VUFB 17642, Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride, N,N-Dimethyl-2-(2-chlorophenylthio)benzylamine hydrochloride, Benzylamine, o-((o-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride, 2-((2-Chlorophenyl)thio)-N,N-dimethylbenzenemethanamine hydrochloride
| Molecular Formula | C15H17Cl2NS |
| Molecular Weight | 313.04587 g/mol |
| XLogP | 4.9746 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.04587 Da |
| Heavy Atoms | 19 |
| Complexity | 247.0 |
| SMILES | CN(C)CC1=CC=CC=C1SC2=CC=CC=C2Cl.Cl |
| InChIKey | LNVPSDWOZGPKQK-UHFFFAOYSA-N |
The XLogP value of 4.9746 indicates that Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride 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 Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride is 139009-30-6.
The molecular formula of Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride is C15H17Cl2NS.
The molecular weight of Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride is 313.04587 g/mol.
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