![4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/878/878432-74-7.png)
4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 878432-74-7) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 0577AE, BAS 01256981, 4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-Ethyl-5-p-tolyloxymethyl-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 878432-74-7 |
|---|---|
| SMILES | CCN1C(=NNC1=S)COC2=CC=C(C=C2)C |
| InChIKey | GNAJXKMTYGQCMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 878432-74-7), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-ethyl-5-[(4-methylphenoxy)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 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 878432-74-7.
What is the molecular formula of 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is C12H15N3OS.
What is the molecular weight of 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 249.09 g/mol.
Where can I buy 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-ethyl-5-[(4-methylphenoxy)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 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.