2-(Trifluoromethylthio)benzonitrile
TL;DR: 2-(Trifluoromethylthio)benzonitrile (CAS 37526-65-1) is a chemical compound with molecular formula C8H4F3NS and molecular weight 203.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethylsulfanyl)benzonitrile
Also Known As: 2-(Trifluoromethylthio)benzonitrile, 2-(trifluoromethylsulfanyl)benzonitrile, 2- BENZONITRILE98, 2-[(trifluoromethyl)sulfanyl]benzonitrile, 2-Cyanophenyl trifluoromethyl sulphide
| Molecular Formula | C8H4F3NS |
|---|---|
| Molecular Weight | 203.00 g/mol |
| LogP | 3.17018 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.00165 |
| Heavy Atoms | 13 |
| Complexity | 339.97775 |
Chemical Identifiers
| CAS Number | 37526-65-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)SC(F)(F)F |
Product Overview
2-(Trifluoromethylthio)benzonitrile (CAS 37526-65-1), with molecular formula C8H4F3NS and molecular weight 203.00 g/mol. IUPAC: 2-(trifluoromethylsulfanyl)benzonitrile.
Chemical Property Profile of 2-(Trifluoromethylthio)benzonitrile
Property Insights of 2-(Trifluoromethylthio)benzonitrile
The XLogP value of 3.17018 indicates that 2-(Trifluoromethylthio)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-(Trifluoromethylthio)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethylthio)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-(Trifluoromethylthio)benzonitrile?
The CAS number of 2-(Trifluoromethylthio)benzonitrile is 37526-65-1.
What is the molecular formula of 2-(Trifluoromethylthio)benzonitrile?
The molecular formula of 2-(Trifluoromethylthio)benzonitrile is C8H4F3NS.
What is the molecular weight of 2-(Trifluoromethylthio)benzonitrile?
The molecular weight of 2-(Trifluoromethylthio)benzonitrile is 203.00 g/mol.
Where can I buy 2-(Trifluoromethylthio)benzonitrile?
You can request a quote for 2-(Trifluoromethylthio)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethylthio)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethylthio)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.