TL;DR: 2,2,4,4-Tetrafluoro-1,3-dithietane (CAS 1717-50-6) is a chemical compound with molecular formula C2F4S2 and molecular weight 163.93776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,4,4-tetrafluoro-1,3-dithietane
Also Known As: 2,2,4,4-Tetrafluoro-1,3-dithietane, Tetrafluoro-1,3-dithietane, tetrafluorodithietane, perfluoro-1,3-dithietane, 2244-Tetrafluoro-13-dithietane
| Molecular Formula | C2F4S2 |
| Molecular Weight | 163.93776 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.93776 Da |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| SMILES | C1(SC(S1)(F)F)(F)F |
| InChIKey | MPOCEMBRPHOCMK-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 2,2,4,4-Tetrafluoro-1,3-dithietane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2,2,4,4-Tetrafluoro-1,3-dithietane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4,4-Tetrafluoro-1,3-dithietane has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2,4,4-Tetrafluoro-1,3-dithietane is 1717-50-6.
The molecular formula of 2,2,4,4-Tetrafluoro-1,3-dithietane is C2F4S2.
The molecular weight of 2,2,4,4-Tetrafluoro-1,3-dithietane is 163.93776 g/mol.
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