![5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/7564/756494-57-2.webp)
5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol (CAS 756494-57-2) is a chemical compound with molecular formula C14H19N3O2S and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 08854681, BB 0217485, 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol, 5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol, 3-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H19N3O2S |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 3.24671 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.1198 |
| Heavy Atoms | 20 |
| Complexity | 633.58954 |
Chemical Identifiers
| CAS Number | 756494-57-2 |
|---|---|
| SMILES | CCN1C(=NNC1=S)COC2=C(C=C(C=C2)C)OCC |
Product Overview
5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol (CAS 756494-57-2), with molecular formula C14H19N3O2S and molecular weight 293.12 g/mol. IUPAC: 3-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.24671 indicates that 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-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 52.07 Ų, 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol is 756494-57-2.
What is the molecular formula of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol is C14H19N3O2S.
What is the molecular weight of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol is 293.12 g/mol.
Where can I buy 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-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 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.