![4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol structure](/static/products/957/957014-53-8.png)
4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol (CAS 957014-53-8) is a chemical compound with molecular formula C14H12F3N5S and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol, 11R-1133, 4-ethyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H12F3N5S |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 3.83209 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.07654 |
| Heavy Atoms | 23 |
| Complexity | 875.9476 |
Chemical Identifiers
| CAS Number | 957014-53-8 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F |
Product Overview
4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol (CAS 957014-53-8), with molecular formula C14H12F3N5S and molecular weight 339.08 g/mol. IUPAC: 4-ethyl-3-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.83209 indicates that 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.43 Ų, 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-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-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol is 957014-53-8.
What is the molecular formula of 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol is C14H12F3N5S.
What is the molecular weight of 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol is 339.08 g/mol.
Where can I buy 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-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-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.