TL;DR: DI-[2-(4-Pyridyl)ethyl]sulfide (CAS 1169562-71-3) is a chemical compound with molecular formula C14H16N2S and molecular weight 244.10342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(2-pyridin-4-ylethylsulfanyl)ethyl]pyridine
Also Known As: DI-[2-(4-PYRIDYL)ETHYL]SULFIDE, 4-[2-(2-pyridin-4-ylethylsulfanyl)ethyl]pyridine, Bis[2-(4-pyridyl)ethyl] sulfide, 4,4'-(Thiodi-2,1-ethanediyl)bis-pyridine, J1.647.387A
| Molecular Formula | C14H16N2S |
| Molecular Weight | 244.10342 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.10342 Da |
| Heavy Atoms | 17 |
| Complexity | 167.0 |
| SMILES | C1=CN=CC=C1CCSCCC2=CC=NC=C2 |
| InChIKey | HMVWDRBTNXIJIX-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DI-[2-(4-Pyridyl)ethyl]sulfide. With a topological polar surface area (TPSA) of 51.1 Ų, DI-[2-(4-Pyridyl)ethyl]sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DI-[2-(4-Pyridyl)ethyl]sulfide has 0 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 DI-[2-(4-Pyridyl)ethyl]sulfide is 1169562-71-3.
The molecular formula of DI-[2-(4-Pyridyl)ethyl]sulfide is C14H16N2S.
The molecular weight of DI-[2-(4-Pyridyl)ethyl]sulfide is 244.10342 g/mol.
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