3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole
TL;DR: 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole (CAS 577765-41-4) is a chemical compound with molecular formula C15H14ClN3S2 and molecular weight 335.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole
Also Known As: Salor-int l366285-1ea, 3-((3-CHLOROBENZYL)THIO)-4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOLE, 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazole, 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole, 3-[(3-chlorophenyl)methylthio]-4-ethyl-5-(2-thienyl)-1,2,4-triazole
| Molecular Formula | C15H14ClN3S2 |
|---|---|
| Molecular Weight | 335.03 g/mol |
| LogP | 4.9722 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.03177 |
| Heavy Atoms | 21 |
| Complexity | 722.36127 |
Chemical Identifiers
| CAS Number | 577765-41-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=CS3 |
Product Overview
3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole (CAS 577765-41-4), with molecular formula C15H14ClN3S2 and molecular weight 335.03 g/mol. IUPAC: 3-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole.
Chemical Property Profile of 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole
Property Insights of 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole
The XLogP value of 4.9722 indicates that 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole 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 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole?
The CAS number of 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole is 577765-41-4.
What is the molecular formula of 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole?
The molecular formula of 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole is C15H14ClN3S2.
What is the molecular weight of 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole?
The molecular weight of 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole is 335.03 g/mol.
Where can I buy 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole?
You can request a quote for 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(2-thienyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.