1-Fluoro-2-methanesulfonylbenzene
TL;DR: 1-Fluoro-2-methanesulfonylbenzene (CAS 125776-90-1) is a chemical compound with molecular formula C7H7FO2S and molecular weight 174.01508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-2-methylsulfonylbenzene
Also Known As: 1-Fluoro-2-(methylsulfonyl)benzene, 2-Fluorophenyl methyl sulfone, 2-Fluorophenylmethylsulfone, 2-fluorophenyl methyl sulphone, 1-fluoro-2-methylsulfonylbenzene
Technical Specifications
| Molecular Formula | C7H7FO2S |
| Molecular Weight | 174.01508 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.01508 Da |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
| SMILES | CS(=O)(=O)C1=CC=CC=C1F |
| InChIKey | DRQGZMZPKOYPKW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Fluoro-2-methanesulfonylbenzene
Property Insights of 1-Fluoro-2-methanesulfonylbenzene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-2-methanesulfonylbenzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Fluoro-2-methanesulfonylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-2-methanesulfonylbenzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Fluoro-2-methanesulfonylbenzene?
The CAS number of 1-Fluoro-2-methanesulfonylbenzene is 125776-90-1.
What is the molecular formula of 1-Fluoro-2-methanesulfonylbenzene?
The molecular formula of 1-Fluoro-2-methanesulfonylbenzene is C7H7FO2S.
What is the molecular weight of 1-Fluoro-2-methanesulfonylbenzene?
The molecular weight of 1-Fluoro-2-methanesulfonylbenzene is 174.01508 g/mol.
Where can I buy 1-Fluoro-2-methanesulfonylbenzene?
You can request a quote for 1-Fluoro-2-methanesulfonylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Fluoro-2-methanesulfonylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Fluoro-2-methanesulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.