3-(Pentafluorosulfanyl)benzonitrile
TL;DR: 3-(Pentafluorosulfanyl)benzonitrile (CAS 401892-82-8) 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.
3-(pentafluoro-λ6-sulfanyl)benzonitrile
Also Known As: 3-(Pentafluorosulfanyl)benzonitrile, 3-(Pentafluorothio)benzonitrile, 3-(pentafluoro-, 3-Cyanophenylsulphur pentafluoride, 3-Cyanophenylsulfur pentafluoride
| 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 | 414.8096 |
Chemical Identifiers
| CAS Number | 401892-82-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C#N |
Product Overview
3-(Pentafluorosulfanyl)benzonitrile (CAS 401892-82-8), with molecular formula C7H4F5NS and molecular weight 229.00 g/mol. IUPAC: 3-(pentafluoro-λ6-sulfanyl)benzonitrile.
Chemical Property Profile of 3-(Pentafluorosulfanyl)benzonitrile
Property Insights of 3-(Pentafluorosulfanyl)benzonitrile
The XLogP value of 4.21568 indicates that 3-(Pentafluorosulfanyl)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, 3-(Pentafluorosulfanyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pentafluorosulfanyl)benzonitrile 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 3-(Pentafluorosulfanyl)benzonitrile?
The CAS number of 3-(Pentafluorosulfanyl)benzonitrile is 401892-82-8.
What is the molecular formula of 3-(Pentafluorosulfanyl)benzonitrile?
The molecular formula of 3-(Pentafluorosulfanyl)benzonitrile is C7H4F5NS.
What is the molecular weight of 3-(Pentafluorosulfanyl)benzonitrile?
The molecular weight of 3-(Pentafluorosulfanyl)benzonitrile is 229.00 g/mol.
Where can I buy 3-(Pentafluorosulfanyl)benzonitrile?
You can request a quote for 3-(Pentafluorosulfanyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pentafluorosulfanyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentafluorosulfanyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.