![4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine structure](/static/products/6802/680217-14-5.webp)
4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine
TL;DR: 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine (CAS 680217-14-5) is a chemical compound with molecular formula C15H8ClF6N5S2 and molecular weight 470.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine
Also Known As: 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine, 4-[5-(3,5-Bis-trifluoromethyl-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-6-chloro-2-methylsulfanyl-pyrimidine, 4-Chloro-6-((5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)thio)-2-(methylthio)pyrimidine, 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine, 4-({5-[3,5-bis(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-6-chloro-2-(methylsulfanyl)pyrimidine
| Molecular Formula | C15H8ClF6N5S2 |
|---|---|
| Molecular Weight | 470.98 g/mol |
| LogP | 5.8258 |
| Topological Polar Surface Area | 67.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.98138 |
| Heavy Atoms | 29 |
| Complexity | 1004.51697 |
Chemical Identifiers
| CAS Number | 680217-14-5 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)SC2=NNC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine (CAS 680217-14-5), with molecular formula C15H8ClF6N5S2 and molecular weight 470.98 g/mol. IUPAC: 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine.
Chemical Property Profile of 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine
Property Insights of 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine
The XLogP value of 5.8258 indicates that 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine. Following Lipinski's Rule of Five, 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine?
The CAS number of 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine is 680217-14-5.
What is the molecular formula of 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine?
The molecular formula of 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine is C15H8ClF6N5S2.
What is the molecular weight of 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine?
The molecular weight of 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine is 470.98 g/mol.
Where can I buy 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine?
You can request a quote for 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-6-({5-[3,5-di(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-2-(methylthio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.