4-Cyanophenylsulfur pentafluoride
TL;DR: 4-Cyanophenylsulfur pentafluoride (CAS 401892-85-1) is a chemical compound with molecular formula C7H4F5NS and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(pentafluoro-λ6-sulfanyl)benzonitrile
Also Known As: 4-(PENTAFLUOROTHIO)BENZONITRILE, 4-(Pentafluorosulfanyl)benzonitrile, 4-(pentafluoro-, 4-Cyanophenylsulphur pentafluoride, 4- BENZONITRILE
| Molecular Formula | C7H4F5NS |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 4.21568 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.99846 |
| Heavy Atoms | 14 |
| Complexity | 397.5596 |
Chemical Identifiers
| CAS Number | 401892-85-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)S(F)(F)(F)(F)F |
Product Overview
4-Cyanophenylsulfur pentafluoride (CAS 401892-85-1), with molecular formula C7H4F5NS and molecular weight 229.00 g/mol. IUPAC: 4-(pentafluoro-λ6-sulfanyl)benzonitrile.
Chemical Property Profile of 4-Cyanophenylsulfur pentafluoride
Property Insights of 4-Cyanophenylsulfur pentafluoride
The XLogP value of 4.21568 indicates that 4-Cyanophenylsulfur pentafluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Cyanophenylsulfur pentafluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenylsulfur pentafluoride has 0 hydrogen bond donor(s) and 1 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 4-Cyanophenylsulfur pentafluoride?
The CAS number of 4-Cyanophenylsulfur pentafluoride is 401892-85-1.
What is the molecular formula of 4-Cyanophenylsulfur pentafluoride?
The molecular formula of 4-Cyanophenylsulfur pentafluoride is C7H4F5NS.
What is the molecular weight of 4-Cyanophenylsulfur pentafluoride?
The molecular weight of 4-Cyanophenylsulfur pentafluoride is 229.00 g/mol.
Where can I buy 4-Cyanophenylsulfur pentafluoride?
You can request a quote for 4-Cyanophenylsulfur pentafluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenylsulfur pentafluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenylsulfur pentafluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.