![2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine structure](/static/products/3391/339101-73-4.webp)
2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine
TL;DR: 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-73-4) is a chemical compound with molecular formula C19H12F6N2S and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
Also Known As: 8J-519S, 2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine, 5-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine, 5-[3-(trifluoromethyl)phenyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine, 2-((3-Trifluoromethyl)benzyl))sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine
| Molecular Formula | C19H12F6N2S |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 6.4735 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.06253 |
| Heavy Atoms | 28 |
| Complexity | 951.6279 |
Chemical Identifiers
| CAS Number | 339101-73-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NC=C(C=N2)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-73-4), with molecular formula C19H12F6N2S and molecular weight 414.06 g/mol. IUPAC: 5-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine.
Chemical Property Profile of 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine
Property Insights of 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine
The XLogP value of 6.4735 indicates that 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The CAS number of 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine is 339101-73-4.
What is the molecular formula of 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The molecular formula of 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine is C19H12F6N2S.
What is the molecular weight of 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The molecular weight of 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine is 414.06 g/mol.
Where can I buy 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine?
You can request a quote for 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(Trifluoromethyl)benzyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.