3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione (CAS 879567-71-2) is a chemical compound with molecular formula C15H16ClN5S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione, 5-(3-(tert-butyl)-1H-pyrazol-5-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 5-(5-tert-Butyl-2H-pyrazol-3-yl)-4-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol, 5-(5-tert-Butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H16ClN5S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 4.27089 |
| Topological Polar Surface Area | 62.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.08148 |
| Heavy Atoms | 22 |
| Complexity | 851.1829 |
Chemical Identifiers
| CAS Number | 879567-71-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC=C(C=C3)Cl |
Product Overview
3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione (CAS 879567-71-2), with molecular formula C15H16ClN5S and molecular weight 333.08 g/mol. IUPAC: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.27089 indicates that 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione has 2 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 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione is 879567-71-2.
What is the molecular formula of 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione is C15H16ClN5S.
What is the molecular weight of 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione is 333.08 g/mol.
Where can I buy 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-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 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.