2-(Benzylthio)-4-(trifluoromethyl)pyrimidine
TL;DR: 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine (CAS 648427-26-3) is a chemical compound with molecular formula C12H9F3N2S and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-(trifluoromethyl)pyrimidine
Also Known As: 2-(benzylthio)-4-(trifluoromethyl)pyrimidine, 2-benzylsulfanyl-4-(trifluoromethyl)pyrimidine, 2-(benzylsulfanyl)-4-(trifluoromethyl)pyrimidine
| Molecular Formula | C12H9F3N2S |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 3.7877 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.04385 |
| Heavy Atoms | 18 |
| Complexity | 514.231 |
Chemical Identifiers
| CAS Number | 648427-26-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=CC(=N2)C(F)(F)F |
Product Overview
2-(Benzylthio)-4-(trifluoromethyl)pyrimidine (CAS 648427-26-3), with molecular formula C12H9F3N2S and molecular weight 270.04 g/mol. IUPAC: 2-benzylsulfanyl-4-(trifluoromethyl)pyrimidine.
Chemical Property Profile of 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine
Property Insights of 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine
The XLogP value of 3.7877 indicates that 2-(Benzylthio)-4-(trifluoromethyl)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-(Benzylthio)-4-(trifluoromethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine has 0 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 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine?
The CAS number of 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine is 648427-26-3.
What is the molecular formula of 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine?
The molecular formula of 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine is C12H9F3N2S.
What is the molecular weight of 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine?
The molecular weight of 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine is 270.04 g/mol.
Where can I buy 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine?
You can request a quote for 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-4-(trifluoromethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.