![5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole structure](/static/products/862/862105-91-7.png)
5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole
TL;DR: 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole (CAS 862105-91-7) is a chemical compound with molecular formula C22H27N3S and molecular weight 365.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(4-(tert-butyl)phenyl)-4-ethyl-5-((4-methylbenzyl)thio)-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-4-ethyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole, 3-(4-tert-butylphenyl)-4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole, 5-[4-(tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole
| Molecular Formula | C22H27N3S |
|---|---|
| Molecular Weight | 365.19 g/mol |
| LogP | 5.86322 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.19257 |
| Heavy Atoms | 26 |
| Complexity | 855.8982 |
Chemical Identifiers
| CAS Number | 862105-91-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole (CAS 862105-91-7), with molecular formula C22H27N3S and molecular weight 365.19 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole
Property Insights of 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole
The XLogP value of 5.86322 indicates that 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-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, 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-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 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole?
The CAS number of 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole is 862105-91-7.
What is the molecular formula of 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole?
The molecular formula of 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole is C22H27N3S.
What is the molecular weight of 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole?
The molecular weight of 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole is 365.19 g/mol.
Where can I buy 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole?
You can request a quote for 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-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 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(Tert-butyl)phenyl]-4-ethyl-3-[(4-methylphenyl)methylthio]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.