![[(Trifluoromethanesulfonyl)ethynyl]benzene structure](/static/products/5284/52843-77-3.webp)
[(Trifluoromethanesulfonyl)ethynyl]benzene
TL;DR: [(Trifluoromethanesulfonyl)ethynyl]benzene (CAS 52843-77-3) is a chemical compound with molecular formula C9H5F3O2S and molecular weight 234.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethylsulfonyl)ethynylbenzene
Also Known As: 2-triflylethynylbenzene, phenylethynyl trifluoromethyl sulfone, Trifluoromethylphenylethynyl sulfone, [(Trifluoromethanesulfonyl)ethynyl]benzene, (Phenylethynyl)(trifluoromethyl) sulfone
| Molecular Formula | C9H5F3O2S |
|---|---|
| Molecular Weight | 234.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.99623 |
| Heavy Atoms | 15 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 52843-77-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CS(=O)(=O)C(F)(F)F |
| InChIKey | LLBCLXNPGVYXFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(Trifluoromethanesulfonyl)ethynyl]benzene (CAS 52843-77-3), with molecular formula C9H5F3O2S and molecular weight 234.00 g/mol. IUPAC: 2-(trifluoromethylsulfonyl)ethynylbenzene.
Chemical Property Profile of [(Trifluoromethanesulfonyl)ethynyl]benzene
Property Insights of [(Trifluoromethanesulfonyl)ethynyl]benzene
The XLogP value of 3.0 indicates that [(Trifluoromethanesulfonyl)ethynyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, [(Trifluoromethanesulfonyl)ethynyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Trifluoromethanesulfonyl)ethynyl]benzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(Trifluoromethanesulfonyl)ethynyl]benzene?
The CAS number of [(Trifluoromethanesulfonyl)ethynyl]benzene is 52843-77-3.
What is the molecular formula of [(Trifluoromethanesulfonyl)ethynyl]benzene?
The molecular formula of [(Trifluoromethanesulfonyl)ethynyl]benzene is C9H5F3O2S.
What is the molecular weight of [(Trifluoromethanesulfonyl)ethynyl]benzene?
The molecular weight of [(Trifluoromethanesulfonyl)ethynyl]benzene is 234.00 g/mol.
Where can I buy [(Trifluoromethanesulfonyl)ethynyl]benzene?
You can request a quote for [(Trifluoromethanesulfonyl)ethynyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Trifluoromethanesulfonyl)ethynyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(Trifluoromethanesulfonyl)ethynyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.