![5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/5886/588673-53-4.webp)
5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 588673-53-4) is a chemical compound with molecular formula C12H14ClN3OS and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol, ART-CHEM-BBB018007, CHEMBRDG-BB 3018007, 6161AE, 3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C12H14ClN3OS |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 3.57951 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0546 |
| Heavy Atoms | 18 |
| Complexity | 620.0253 |
Chemical Identifiers
| CAS Number | 588673-53-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C)C2=NNC(=S)N2C |
Product Overview
5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 588673-53-4), with molecular formula C12H14ClN3OS and molecular weight 283.05 g/mol. IUPAC: 3-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.57951 indicates that 5-[1-(4-chloro-2-methylphenoxy)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-(4-chloro-2-methylphenoxy)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-(4-chloro-2-methylphenoxy)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-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 588673-53-4.
What is the molecular formula of 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is C12H14ClN3OS.
What is the molecular weight of 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 283.05 g/mol.
Where can I buy 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[1-(4-chloro-2-methylphenoxy)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-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(4-chloro-2-methylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.