![5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/7082/708289-94-5.webp)
5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol (CAS 708289-94-5) is a chemical compound with molecular formula C13H17N3O2S and molecular weight 279.10 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-methyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 08847733, BB 0217484, 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol, 5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, 3-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H17N3O2S |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.76381 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.10416 |
| Heavy Atoms | 19 |
| Complexity | 618.5912 |
Chemical Identifiers
| CAS Number | 708289-94-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C)OCC2=NNC(=S)N2C |
Product Overview
5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol (CAS 708289-94-5), with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol. IUPAC: 3-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.76381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol. With a topological polar surface area (TPSA) of 52.07 Ų, 5-(2-Ethoxy-4-methyl-phenoxymethyl)-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-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-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-methyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol is 708289-94-5.
What is the molecular formula of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol is C13H17N3O2S.
What is the molecular weight of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol is 279.10 g/mol.
Where can I buy 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-(2-Ethoxy-4-methyl-phenoxymethyl)-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-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Ethoxy-4-methyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.