TL;DR: 2-Tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine (CAS 141650-80-8) is a chemical compound with molecular formula C16H18ClNS and molecular weight 291.08484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine
Also Known As: BRD-K70931956-001-01-8, 2-tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine, pyridine,2-(4-chlorophenyl)-6-(1,1-dimethylethyl)-4-(methylthio)-
| Molecular Formula | C16H18ClNS |
| Molecular Weight | 291.08484 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.08484 Da |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=N1)C2=CC=C(C=C2)Cl)SC |
| InChIKey | FOIJKAJSNQOUJI-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 2-Tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, 2-Tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine is 141650-80-8.
The molecular formula of 2-Tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine is C16H18ClNS.
The molecular weight of 2-Tert-butyl-6-(4-chlorophenyl)-4-methylsulfanylpyridine is 291.08484 g/mol.
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