TL;DR: 2-[(1-Chloro-2,2,2-trifluoroethyl)thio]pyridine (CAS 145143-27-7) is a chemical compound with molecular formula C7H5ClF3NS and molecular weight 226.97833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-chloro-2,2,2-trifluoroethyl)sulfanylpyridine
Also Known As: 2-[(1-chloro-2,2,2-trifluoroethyl)thio]pyridine, 2-[(1-chloro-2,2,2-trifluoroethyl)sulfanyl]pyridine, 2-((1-Chloro-2,2,2-trifluoroethyl)thio)pyridine, J3.446.683A, 2-(1-chloro-2,2,2-trifluoro-ethyl)sulfanylpyridine
| Molecular Formula | C7H5ClF3NS |
| Molecular Weight | 226.97833 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.97833 Da |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| SMILES | C1=CC=NC(=C1)SC(C(F)(F)F)Cl |
| InChIKey | HLTBONPVFIBKGI-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-[(1-Chloro-2,2,2-trifluoroethyl)thio]pyridine 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-[(1-Chloro-2,2,2-trifluoroethyl)thio]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-Chloro-2,2,2-trifluoroethyl)thio]pyridine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(1-Chloro-2,2,2-trifluoroethyl)thio]pyridine is 145143-27-7.
The molecular formula of 2-[(1-Chloro-2,2,2-trifluoroethyl)thio]pyridine is C7H5ClF3NS.
The molecular weight of 2-[(1-Chloro-2,2,2-trifluoroethyl)thio]pyridine is 226.97833 g/mol.
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