![4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile structure](/static/products/571/571933-55-6.webp)
4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
TL;DR: 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile (CAS 571933-55-6) is a chemical compound with molecular formula C18H16N4S and molecular weight 320.10956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
Also Known As: AB00744567-01, 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile, 4-(((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile, 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-ylthio)methyl]benzenecarbonitrile
Technical Specifications
| Molecular Formula | C18H16N4S |
| Molecular Weight | 320.10956 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.10956 Da |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3 |
| InChIKey | UOWSZMCULVEDOC-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Property Insights of 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
The XLogP value of 3.4 indicates that 4-{[(4-ethyl-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-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile. Following Lipinski's Rule of Five, 4-{[(4-ethyl-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
What is the CAS number of 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
The CAS number of 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile is 571933-55-6.
What is the molecular formula of 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
The molecular formula of 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile is C18H16N4S.
What is the molecular weight of 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
The molecular weight of 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile is 320.10956 g/mol.
Where can I buy 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
You can request a quote for 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-{[(4-ethyl-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.