4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1026770-53-5) is a chemical compound with molecular formula C12H11N5OS and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, A3451/0146581, 4-(2-methoxyphenyl)-5-pyrazol-5-yl-1,2,4-triazole-3-thiol, 4-(2-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 2,4-Dihydro-4-(2-methoxyphenyl)-5-(1H-pyrazol-3-yl)-3H-1,2,4-triazole-3-thione
| Molecular Formula | C12H11N5OS |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 2.32859 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06842 |
| Heavy Atoms | 19 |
| Complexity | 743.57794 |
Chemical Identifiers
| CAS Number | 1026770-53-5 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NNC2=S)C3=CC=NN3 |
Product Overview
4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1026770-53-5), with molecular formula C12H11N5OS and molecular weight 273.07 g/mol. IUPAC: 4-(2-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.32859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 71.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol has 2 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 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 1026770-53-5.
What is the molecular formula of 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is C12H11N5OS.
What is the molecular weight of 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 273.07 g/mol.
Where can I buy 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-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-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.