Benzene, 1-fluoro-4-(2-propynylsulfonyl)-
TL;DR: Benzene, 1-fluoro-4-(2-propynylsulfonyl)- (CAS 1240-54-6) is a chemical compound with molecular formula C9H7FO2S and molecular weight 198.01508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-4-prop-2-ynylsulfonylbenzene
Also Known As: Benzene, 1-fluoro-4-(2-propynylsulfonyl)-, 1-Fluoro-4-(2-propynylsulfonyl)benzene, 1-fluoro-4-prop-2-ynylsulfonylbenzene, 4-fluorophenyl prop-2-yn-1-yl sulfone, Benzene,1-fluoro-4-(2-propyn-1-ylsulfonyl)-
Technical Specifications
| Molecular Formula | C9H7FO2S |
| Molecular Weight | 198.01508 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.01508 Da |
| Heavy Atoms | 13 |
| Complexity | 298.0 |
| SMILES | C#CCS(=O)(=O)C1=CC=C(C=C1)F |
| InChIKey | NHHLQRUSKZUHHU-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1-fluoro-4-(2-propynylsulfonyl)-
Property Insights of Benzene, 1-fluoro-4-(2-propynylsulfonyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-fluoro-4-(2-propynylsulfonyl)-. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene, 1-fluoro-4-(2-propynylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-fluoro-4-(2-propynylsulfonyl)- 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 Benzene, 1-fluoro-4-(2-propynylsulfonyl)-?
The CAS number of Benzene, 1-fluoro-4-(2-propynylsulfonyl)- is 1240-54-6.
What is the molecular formula of Benzene, 1-fluoro-4-(2-propynylsulfonyl)-?
The molecular formula of Benzene, 1-fluoro-4-(2-propynylsulfonyl)- is C9H7FO2S.
What is the molecular weight of Benzene, 1-fluoro-4-(2-propynylsulfonyl)-?
The molecular weight of Benzene, 1-fluoro-4-(2-propynylsulfonyl)- is 198.01508 g/mol.
Where can I buy Benzene, 1-fluoro-4-(2-propynylsulfonyl)-?
You can request a quote for Benzene, 1-fluoro-4-(2-propynylsulfonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1-fluoro-4-(2-propynylsulfonyl)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1-fluoro-4-(2-propynylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.