![4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile structure](/static/products/765/765921-64-0.png)
4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
TL;DR: 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile (CAS 765921-64-0) is a chemical compound with molecular formula C17H14N4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Also Known As: 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile, 4-(((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
| Molecular Formula | C17H14N4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0939 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 765921-64-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3 |
| InChIKey | OQVUERBINXCGJV-UHFFFAOYSA-N |
Product Overview
4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile (CAS 765921-64-0), with molecular formula C17H14N4S and molecular weight 306.09 g/mol. IUPAC: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Property Insights of 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
The XLogP value of 3.1 indicates that 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile. Following Lipinski's Rule of Five, 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile has 0 hydrogen bond donor(s) and 4 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-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
The CAS number of 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile is 765921-64-0.
What is the molecular formula of 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
The molecular formula of 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile is C17H14N4S.
What is the molecular weight of 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
The molecular weight of 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile is 306.09 g/mol.
Where can I buy 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
You can request a quote for 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}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-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.