2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile
TL;DR: 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile (CAS 478050-38-3) is a chemical compound with molecular formula C10H9F3N2S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-(isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile, 5P-318S, 2-(propan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile, 90%
| Molecular Formula | C10H9F3N2S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 3.47258 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.04385 |
| Heavy Atoms | 16 |
| Complexity | 421.0528 |
Chemical Identifiers
| CAS Number | 478050-38-3 |
|---|---|
| SMILES | CC(C)SC1=C(C=CC(=N1)C(F)(F)F)C#N |
Product Overview
2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile (CAS 478050-38-3), with molecular formula C10H9F3N2S and molecular weight 246.04 g/mol. IUPAC: 2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile
Property Insights of 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile
The XLogP value of 3.47258 indicates that 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 3 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-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile is 478050-38-3.
What is the molecular formula of 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile is C10H9F3N2S.
What is the molecular weight of 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile is 246.04 g/mol.
Where can I buy 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropylsulfanyl)-6-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.