3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole
TL;DR: 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole (CAS 736147-89-0) is a chemical compound with molecular formula C21H23Cl2N3S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole
Also Known As: 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylthio]-5-[4-(tert-butyl)phenyl]-4-ethyl-1,2,4-tria zole, 3-(4-tert-butylphenyl)-5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
| Molecular Formula | C21H23Cl2N3S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 6.8616 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.09897 |
| Heavy Atoms | 27 |
| Complexity | 907.34 |
Chemical Identifiers
| CAS Number | 736147-89-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole (CAS 736147-89-0), with molecular formula C21H23Cl2N3S and molecular weight 419.10 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole.
Chemical Property Profile of 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole
Property Insights of 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole
The XLogP value of 6.8616 indicates that 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-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-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole?
The CAS number of 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole is 736147-89-0.
What is the molecular formula of 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole?
The molecular formula of 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole is C21H23Cl2N3S.
What is the molecular weight of 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole?
The molecular weight of 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole is 419.10 g/mol.
Where can I buy 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole?
You can request a quote for 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-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-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.