![4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione structure](/static/products/5886/588692-11-9.webp)
4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione (CAS 588692-11-9) is a chemical compound with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-ethyl-5-[(3-methyl-4-nitro-phenoxy)methyl]-2H-1,2,4-triazole-3-thione, 4-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]-1,2,4-triazole-3-thiol, 4-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C12H14N4O3S |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 2.75621 |
| Topological Polar Surface Area | 85.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.07867 |
| Heavy Atoms | 20 |
| Complexity | 692.25116 |
Chemical Identifiers
| CAS Number | 588692-11-9 |
|---|---|
| SMILES | CCN1C(=NNC1=S)COC2=CC(=C(C=C2)[N+](=O)[O-])C |
Product Overview
4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione (CAS 588692-11-9), with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol. IUPAC: 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 2.75621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione. The TPSA of 85.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 5 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-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione is 588692-11-9.
What is the molecular formula of 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione is C12H14N4O3S.
What is the molecular weight of 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione is 294.08 g/mol.
Where can I buy 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-3-[(3-methyl-4-nitrophenoxy)methyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.