![2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile structure](/static/products/680/680216-29-9.png)
2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile
TL;DR: 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile (CAS 680216-29-9) is a chemical compound with molecular formula C15H17N2O3PS3 and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphinothioyloxy-4-methylsulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile, 2-diethoxyphosphinothioyloxy-4-methylsulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile, 3-cyano-4-(methylsulfanyl)-6-(thiophen-2-yl)pyridin-2-yl ethyl ethoxy(sulfanylidene)phosphonite
| Molecular Formula | C15H17N2O3PS3 |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 5.07998 |
| Topological Polar Surface Area | 64.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.0139 |
| Heavy Atoms | 24 |
| Complexity | 765.0117 |
Chemical Identifiers
| CAS Number | 680216-29-9 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=C(C(=CC(=N1)C2=CC=CS2)SC)C#N |
Product Overview
2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile (CAS 680216-29-9), with molecular formula C15H17N2O3PS3 and molecular weight 400.01 g/mol. IUPAC: 2-diethoxyphosphinothioyloxy-4-methylsulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile
Property Insights of 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile
The XLogP value of 5.07998 indicates that 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile?
The CAS number of 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile is 680216-29-9.
What is the molecular formula of 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile?
The molecular formula of 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile is C15H17N2O3PS3.
What is the molecular weight of 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile?
The molecular weight of 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile is 400.01 g/mol.
Where can I buy 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile?
You can request a quote for 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(diethoxyphosphorothioyl)oxy]-4-(methylthio)-6-(2-thienyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.