![4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile structure](/static/products/7122/712282-87-6.webp)
4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
TL;DR: 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile (CAS 712282-87-6) is a chemical compound with molecular formula C20H14N6S and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Also Known As: 4-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile, 4-({[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-(((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile
| Molecular Formula | C20H14N6S |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 3.88828 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.10007 |
| Heavy Atoms | 27 |
| Complexity | 1069.1724 |
Chemical Identifiers
| CAS Number | 712282-87-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=NC=CN=C4 |
Product Overview
4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile (CAS 712282-87-6), with molecular formula C20H14N6S and molecular weight 370.10 g/mol. IUPAC: 4-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Property Insights of 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
The XLogP value of 3.88828 indicates that 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile has 0 hydrogen bond donor(s) and 6 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 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The CAS number of 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is 712282-87-6.
What is the molecular formula of 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The molecular formula of 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is C20H14N6S.
What is the molecular weight of 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The molecular weight of 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is 370.10 g/mol.
Where can I buy 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
You can request a quote for 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.