![3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole structure](/static/products/3390/339008-22-9.webp)
3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole
TL;DR: 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole (CAS 339008-22-9) is a chemical compound with molecular formula C14H11Cl2N3OS2 and molecular weight 370.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[(2,4-dichlorophenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole
Also Known As: Bionet1_001124, 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole, 7D-135, 3-{3-[(2,4-dichlorophenyl)methoxy]thiophen-2-yl}-5-(methylsulfanyl)-4H-1,2,4-triazole, 5-[3-[(2,4-dichlorophenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole
| Molecular Formula | C14H11Cl2N3OS2 |
|---|---|
| Molecular Weight | 370.97 g/mol |
| LogP | 5.1409 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.97205 |
| Heavy Atoms | 22 |
| Complexity | 787.99835 |
Chemical Identifiers
| CAS Number | 339008-22-9 |
|---|---|
| SMILES | CSC1=NNC(=N1)C2=C(C=CS2)OCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole (CAS 339008-22-9), with molecular formula C14H11Cl2N3OS2 and molecular weight 370.97 g/mol. IUPAC: 5-[3-[(2,4-dichlorophenyl)methoxy]thiophen-2-yl]-3-methylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole
Property Insights of 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole
The XLogP value of 5.1409 indicates that 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-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 50.8 Ų, 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole?
The CAS number of 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole is 339008-22-9.
What is the molecular formula of 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole?
The molecular formula of 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole is C14H11Cl2N3OS2.
What is the molecular weight of 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole?
The molecular weight of 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole is 370.97 g/mol.
Where can I buy 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole?
You can request a quote for 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-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-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[(2,4-dichlorobenzyl)oxy]-2-thienyl}-5-(methylsulfanyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.