![2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile structure](/static/products/896/896331-82-1.png)
2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile
TL;DR: 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile (CAS 896331-82-1) is a chemical compound with molecular formula C9H6N4OS and molecular weight 218.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetonitrile
Also Known As: F2543-0120, 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile, 2-({4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetonitrile, (4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetonitrile, 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetonitrile
| Molecular Formula | C9H6N4OS |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 0.70518 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.02623 |
| Heavy Atoms | 15 |
| Complexity | 586.4174 |
Chemical Identifiers
| CAS Number | 896331-82-1 |
|---|---|
| SMILES | C1=CC2=NC(=NC(=O)N2C=C1)SCC#N |
Product Overview
2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile (CAS 896331-82-1), with molecular formula C9H6N4OS and molecular weight 218.03 g/mol. IUPAC: 2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetonitrile.
Chemical Property Profile of 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile
Property Insights of 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile
The XLogP value of 0.70518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile. Following Lipinski's Rule of Five, 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile has 0 hydrogen bond donor(s) and 5 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-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile?
The CAS number of 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile is 896331-82-1.
What is the molecular formula of 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile?
The molecular formula of 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile is C9H6N4OS.
What is the molecular weight of 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile?
The molecular weight of 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile is 218.03 g/mol.
Where can I buy 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile?
You can request a quote for 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.