![ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate structure](/static/products/1257/125745-70-2.webp)
ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate
TL;DR: ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate (CAS 125745-70-2) is a chemical compound with molecular formula C16H15N3O2S2 and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate, ethyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl {[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-(4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)acetate, ethyl 2-((4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C16H15N3O2S2 |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.06058 |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 125745-70-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CS3 |
| InChIKey | LMBHRBWBBNYJBL-UHFFFAOYSA-N |
Product Overview
ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate (CAS 125745-70-2), with molecular formula C16H15N3O2S2 and molecular weight 345.06 g/mol. IUPAC: ethyl 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate
Property Insights of ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate
The XLogP value of 3.6 indicates that ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate. Following Lipinski's Rule of Five, ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate 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 ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
The CAS number of ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate is 125745-70-2.
What is the molecular formula of ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
The molecular formula of ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate is C16H15N3O2S2.
What is the molecular weight of ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
The molecular weight of ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate is 345.06 g/mol.
Where can I buy ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
You can request a quote for ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.