Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-
TL;DR: Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- (CAS 4871-71-0) is a chemical compound with molecular formula C8H7F3N2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine
Also Known As: Stauffer R-5467, 2-[ thio]pyrimidine, Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-, 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine, 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]pyrimidine
| Molecular Formula | C8H7F3N2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0282 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 4871-71-0 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCCC(=C(F)F)F |
| InChIKey | PLLUJQVWXXGSGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- (CAS 4871-71-0), with molecular formula C8H7F3N2S and molecular weight 220.03 g/mol. IUPAC: 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine.
Chemical Property Profile of Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-
Property Insights of Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-. With a topological polar surface area (TPSA) of 51.1 Ų, Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- 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 Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-?
The CAS number of Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- is 4871-71-0.
What is the molecular formula of Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-?
The molecular formula of Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- is C8H7F3N2S.
What is the molecular weight of Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-?
The molecular weight of Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- is 220.03 g/mol.
Where can I buy Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-?
You can request a quote for Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2-((3,4,4-trifluoro-3-butenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.