![5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/1373/137352-76-2.webp)
5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 137352-76-2) is a chemical compound with molecular formula C11H12ClN3OS and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2-chlorophenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol, 3-Methyl-4-pyrrol-1-yl-phenylamine, 3-[1-(2-chlorophenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-(1-(2-Chlorophenoxy)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 5-[(2-chlorophenoxy)ethyl]-4-methyl-1,2,4-triazole-3-thiol
| Molecular Formula | C11H12ClN3OS |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 3.27109 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.03897 |
| Heavy Atoms | 17 |
| Complexity | 578.0907 |
Chemical Identifiers
| CAS Number | 137352-76-2 |
|---|---|
| SMILES | CC(C1=NNC(=S)N1C)OC2=CC=CC=C2Cl |
Product Overview
5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 137352-76-2), with molecular formula C11H12ClN3OS and molecular weight 269.04 g/mol. IUPAC: 3-[1-(2-chlorophenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.27109 indicates that 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 137352-76-2.
What is the molecular formula of 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is C11H12ClN3OS.
What is the molecular weight of 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 269.04 g/mol.
Where can I buy 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(2-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.