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[(2-Fluorophenyl)sulfonyl]acetonitrile
TL;DR: [(2-Fluorophenyl)sulfonyl]acetonitrile (CAS 59849-52-4) is a chemical compound with molecular formula C8H6FNO2S and molecular weight 199.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluorophenyl)sulfonylacetonitrile
Also Known As: [(2-Fluorophenyl)sulfonyl]acetonitrile|2-(2-fluorophenyl)sulfonylacetonitrile|Maybridge3_003340|2-((2-Fluorophenyl)sulfonyl)acetonitrile|2-(2-fluorobenzenesulfonyl)acetonitrile|KS-00003HQB|2-fluorophenyl cyanomethyl sulphone|Acetonitrile, [(2-fluorophenyl)sulfonyl]-|(2-Fluorophenyl)(cyanomethyl) sulfone|(2-Fluoro-benzenesulfonyl)-acetonitrile|IDI1_014727|(2-Fluorobenzene-1-sulfonyl)acetonitrile|[(2-Fluorophenyl)sulfonyl]acetonitrile #|2-[(2-Fluorophenyl)sulfonyl]acetonitrile|N/A|MFCD01566441|JTMDWESWXCJUHR-UHFFFAOYSA-N
| Molecular Formula | C8H6FNO2S |
|---|---|
| Molecular Weight | 199.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.01033 |
| Heavy Atoms | 13 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 59849-52-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)F)S(=O)(=O)CC#N |
| InChIKey | JTMDWESWXCJUHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(2-Fluorophenyl)sulfonyl]acetonitrile (CAS 59849-52-4), with molecular formula C8H6FNO2S and molecular weight 199.01 g/mol. IUPAC: 2-(2-fluorophenyl)sulfonylacetonitrile.
Chemical Property Profile of [(2-Fluorophenyl)sulfonyl]acetonitrile
Property Insights of [(2-Fluorophenyl)sulfonyl]acetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Fluorophenyl)sulfonyl]acetonitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Fluorophenyl)sulfonyl]acetonitrile. Following Lipinski's Rule of Five, [(2-Fluorophenyl)sulfonyl]acetonitrile has 0 hydrogen bond donor(s) and 4 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 [(2-Fluorophenyl)sulfonyl]acetonitrile?
The CAS number of [(2-Fluorophenyl)sulfonyl]acetonitrile is 59849-52-4.
What is the molecular formula of [(2-Fluorophenyl)sulfonyl]acetonitrile?
The molecular formula of [(2-Fluorophenyl)sulfonyl]acetonitrile is C8H6FNO2S.
What is the molecular weight of [(2-Fluorophenyl)sulfonyl]acetonitrile?
The molecular weight of [(2-Fluorophenyl)sulfonyl]acetonitrile is 199.01 g/mol.
Where can I buy [(2-Fluorophenyl)sulfonyl]acetonitrile?
You can request a quote for [(2-Fluorophenyl)sulfonyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Fluorophenyl)sulfonyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(2-Fluorophenyl)sulfonyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.