2-Fluoro-6-(4-chlorophenylthio)benzonitrile
TL;DR: 2-Fluoro-6-(4-chlorophenylthio)benzonitrile (CAS 175204-12-3) is a chemical compound with molecular formula C13H7ClFNS and molecular weight 263.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-6-fluorobenzonitrile
Also Known As: 2-Fluoro-6-(4-chlorophenylthio)benzonitrile, Maybridge3_004320, 2-((4-Chlorophenyl)thio)-6-fluorobenzonitrile, 2-(4-chlorophenyl)sulfanyl-6-fluorobenzonitrile, 2-[(4-chlorophenyl)sulfanyl]-6-fluorobenzonitrile
| Molecular Formula | C13H7ClFNS |
|---|---|
| Molecular Weight | 263.00 g/mol |
| LogP | 4.50198 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.99716 |
| Heavy Atoms | 17 |
| Complexity | 574.9636 |
Chemical Identifiers
| CAS Number | 175204-12-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)SC2=CC=C(C=C2)Cl)C#N)F |
Product Overview
2-Fluoro-6-(4-chlorophenylthio)benzonitrile (CAS 175204-12-3), with molecular formula C13H7ClFNS and molecular weight 263.00 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-6-fluorobenzonitrile.
Chemical Property Profile of 2-Fluoro-6-(4-chlorophenylthio)benzonitrile
Property Insights of 2-Fluoro-6-(4-chlorophenylthio)benzonitrile
The XLogP value of 4.50198 indicates that 2-Fluoro-6-(4-chlorophenylthio)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Fluoro-6-(4-chlorophenylthio)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-6-(4-chlorophenylthio)benzonitrile has 0 hydrogen bond donor(s) and 2 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-Fluoro-6-(4-chlorophenylthio)benzonitrile?
The CAS number of 2-Fluoro-6-(4-chlorophenylthio)benzonitrile is 175204-12-3.
What is the molecular formula of 2-Fluoro-6-(4-chlorophenylthio)benzonitrile?
The molecular formula of 2-Fluoro-6-(4-chlorophenylthio)benzonitrile is C13H7ClFNS.
What is the molecular weight of 2-Fluoro-6-(4-chlorophenylthio)benzonitrile?
The molecular weight of 2-Fluoro-6-(4-chlorophenylthio)benzonitrile is 263.00 g/mol.
Where can I buy 2-Fluoro-6-(4-chlorophenylthio)benzonitrile?
You can request a quote for 2-Fluoro-6-(4-chlorophenylthio)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-6-(4-chlorophenylthio)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-6-(4-chlorophenylthio)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.