![2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile structure](/static/products/4780/478065-57-5.webp)
2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
TL;DR: 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile (CAS 478065-57-5) is a chemical compound with molecular formula C14H14N4S and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(2-phenylethenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
Also Known As: 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile, 2-[[4-ethyl-5-(2-phenylethenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile, 2-({4-ethyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile
| Molecular Formula | C14H14N4S |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.08408 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0939 |
| Heavy Atoms | 19 |
| Complexity | 595.6537 |
Chemical Identifiers
| CAS Number | 478065-57-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC#N)C=CC2=CC=CC=C2 |
Product Overview
2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile (CAS 478065-57-5), with molecular formula C14H14N4S and molecular weight 270.09 g/mol. IUPAC: 2-[[4-ethyl-5-(2-phenylethenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile.
Chemical Property Profile of 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Property Insights of 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
The XLogP value of 3.08408 indicates that 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile 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 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile?
The CAS number of 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile is 478065-57-5.
What is the molecular formula of 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile?
The molecular formula of 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile is C14H14N4S.
What is the molecular weight of 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile?
The molecular weight of 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile is 270.09 g/mol.
Where can I buy 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile?
You can request a quote for 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-ethyl-5-(2-phenylethenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.