![4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione structure](/static/products/5225/522598-04-5.webp)
4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione (CAS 522598-04-5) is a chemical compound with molecular formula C18H16N4S2 and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione, 4-ethyl-5-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol, 4-ethyl-5-[2-(5-methyl(2-thienyl))(4-quinolyl)]-1,2,4-triazole-3-thiol, 4-ethyl-5-[2-(5-methyl-2-thienyl)-4-quinolinyl]-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C18H16N4S2 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 5.21271 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.08163 |
| Heavy Atoms | 24 |
| Complexity | 1087.7935 |
Chemical Identifiers
| CAS Number | 522598-04-5 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C |
Product Overview
4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione (CAS 522598-04-5), with molecular formula C18H16N4S2 and molecular weight 352.08 g/mol. IUPAC: 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione
The XLogP value of 5.21271 indicates that 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione is 522598-04-5.
What is the molecular formula of 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione is C18H16N4S2.
What is the molecular weight of 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione is 352.08 g/mol.
Where can I buy 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-3-[2-(5-methylthiophen-2-yl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.