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 273.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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, 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, 4-(2-Methoxyphenyl)-5-(1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C12H11N5OS |
| Molecular Weight | 273.06842 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06842 Da |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
| SMILES | COC1=CC=CC=C1N2C(=NNC2=S)C3=CC=NN3 |
| InChIKey | LMSXWPNPVVEPCJ-UHFFFAOYSA-N |
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 1.8 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 97.6 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
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 273.06842 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-methoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem 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.