4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
TL;DR: 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine (CAS 1981-53-9) is a chemical compound with molecular formula C6H4ClF3N2S and molecular weight 227.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
Also Known As: 4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE, 4-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine, NCIOpen2_002927, 4-chloro-2-methylthio-6-(trifluoromethyl)pyrimidine, Pyrimidine, 4-chloro-2-(methylthio)-6-(trifluoromethyl)-
| Molecular Formula | C6H4ClF3N2S |
|---|---|
| Molecular Weight | 227.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97359 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 1981-53-9 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)C(F)(F)F |
| InChIKey | GOORQLLDZBAQIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine (CAS 1981-53-9), with molecular formula C6H4ClF3N2S and molecular weight 227.97 g/mol. IUPAC: 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.
Chemical Property Profile of 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
Property Insights of 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine has 0 hydrogen bond donor(s) and 6 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-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine?
The CAS number of 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine is 1981-53-9.
What is the molecular formula of 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine?
The molecular formula of 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine is C6H4ClF3N2S.
What is the molecular weight of 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine?
The molecular weight of 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine is 227.97 g/mol.
Where can I buy 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine?
You can request a quote for 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)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-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.