![4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/6674/667436-84-2.webp)
4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol (CAS 667436-84-2) is a chemical compound with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2-chlorophenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol, 7768AE, 3-Methoxy-4-pyrrol-1-yl-phenylamine, Y-0940, 3-[1-(2-chlorophenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H14ClN3OS |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.92009 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.0546 |
| Heavy Atoms | 19 |
| Complexity | 634.8137 |
Chemical Identifiers
| CAS Number | 667436-84-2 |
|---|---|
| SMILES | CC(C1=NNC(=S)N1CC=C)OC2=CC=CC=C2Cl |
Product Overview
4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol (CAS 667436-84-2), with molecular formula C13H14ClN3OS and molecular weight 295.05 g/mol. IUPAC: 3-[1-(2-chlorophenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.92009 indicates that 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-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, 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-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 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol is 667436-84-2.
What is the molecular formula of 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol is C13H14ClN3OS.
What is the molecular weight of 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol is 295.05 g/mol.
Where can I buy 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-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 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.