TL;DR: 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophene 1-oxide (CAS 146431-26-7) is a chemical compound with molecular formula C8H3BrF4OS and molecular weight 301.9024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2,2,3,3-tetrafluoro-1-benzothiophene 1-oxide
Also Known As: 5-bromo-2,2,3,3-tetrafluoro-1-benzothiophene 1-oxide, 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophen-1-oxide, 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophene 1-oxide, 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydro-1-benzothiophene 1-oxide #
| Molecular Formula | C8H3BrF4OS |
| Molecular Weight | 301.9024 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.9024 Da |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
| SMILES | C1=CC2=C(C=C1Br)C(C(S2=O)(F)F)(F)F |
| InChIKey | VJWCVTQAXIIMEK-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophene 1-oxide. With a topological polar surface area (TPSA) of 36.3 Ų, 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophene 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophene 1-oxide 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 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophene 1-oxide is 146431-26-7.
The molecular formula of 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophene 1-oxide is C8H3BrF4OS.
The molecular weight of 5-Bromo-2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b]thiophene 1-oxide is 301.9024 g/mol.
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