![5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/5886/588673-73-8.webp)
5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 588673-73-8) is a chemical compound with molecular formula C13H17N3OS and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol, ART-CHEM-BB B018145, 6164AE, 3-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione, Y-0984
| Molecular Formula | C13H17N3OS |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 3.23453 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.10922 |
| Heavy Atoms | 18 |
| Complexity | 614.9392 |
Chemical Identifiers
| CAS Number | 588673-73-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(C)C2=NNC(=S)N2C)C |
Product Overview
5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 588673-73-8), with molecular formula C13H17N3OS and molecular weight 263.11 g/mol. IUPAC: 3-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.23453 indicates that 5-[1-(3,4-dimethylphenoxy)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-(3,4-dimethylphenoxy)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-(3,4-dimethylphenoxy)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-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 588673-73-8.
What is the molecular formula of 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is C13H17N3OS.
What is the molecular weight of 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 263.11 g/mol.
Where can I buy 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[1-(3,4-dimethylphenoxy)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-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.