4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (CAS 879433-00-8) is a chemical compound with molecular formula C15H11N5S2 and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, A3264/0138793, 4-phenyl-5-[5-(thiophen-3-yl)-1H-pyrazol-3-yl]-4H-1,2,4-triazole-3-thiol, 4-phenyl-5-(5-(thiophen-3-yl)-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol, 4-Phenyl-5-(5-thiophen-3-yl-1H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C15H11N5S2 |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0456 |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 879433-00-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=NN3)C4=CSC=C4 |
| InChIKey | OLCNJTFTCGGHAB-UHFFFAOYSA-N |
Product Overview
4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione (CAS 879433-00-8), with molecular formula C15H11N5S2 and molecular weight 325.05 g/mol. IUPAC: 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.2 indicates that 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione 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-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is 879433-00-8.
What is the molecular formula of 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is C15H11N5S2.
What is the molecular weight of 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione is 325.05 g/mol.
Where can I buy 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-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-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.