![4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile structure](/static/products/5787/578744-46-4.webp)
4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
TL;DR: 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile (CAS 578744-46-4) is a chemical compound with molecular formula C15H12N6S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Also Known As: BAS 07331152, BRD-K53494189-001-01-7, 4-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile, 4-({[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile, 4-(((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile
| Molecular Formula | C15H12N6S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.43608 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0844 |
| Heavy Atoms | 22 |
| Complexity | 804.29913 |
Chemical Identifiers
| CAS Number | 578744-46-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=NC=CN=C3 |
Product Overview
4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile (CAS 578744-46-4), with molecular formula C15H12N6S and molecular weight 308.08 g/mol. IUPAC: 4-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Property Insights of 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
The XLogP value of 2.43608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(4-Methyl-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-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The CAS number of 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is 578744-46-4.
What is the molecular formula of 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The molecular formula of 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is C15H12N6S.
What is the molecular weight of 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
The molecular weight of 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile is 308.08 g/mol.
Where can I buy 4-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
You can request a quote for 4-[(4-Methyl-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-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methyl-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.