Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
TL;DR: Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)- (CAS 4871-72-1) is a chemical compound with molecular formula C9H9F3N2S and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine
Also Known As: Stauffer R-5478, 4-Methyl-2-((3,4,4-trifluoro-3-butenyl)thio)pyrimidine, Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-, 4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine, 4-METHYL-2-[(3,4,4-TRIFLUOROBUT-3-EN-1-YL)SULFANYL]PYRIMIDINE
| Molecular Formula | C9H9F3N2S |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.04385 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 4871-72-1 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCCC(=C(F)F)F |
| InChIKey | NKPJVIJBXNJMEM-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)- (CAS 4871-72-1), with molecular formula C9H9F3N2S and molecular weight 234.04 g/mol. IUPAC: 4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine.
Chemical Property Profile of Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
Property Insights of Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-. With a topological polar surface area (TPSA) of 51.1 Ų, Pyrimidine, 4-methyl-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, 4-methyl-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, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-?
The CAS number of Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)- is 4871-72-1.
What is the molecular formula of Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-?
The molecular formula of Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)- is C9H9F3N2S.
What is the molecular weight of Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-?
The molecular weight of Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)- is 234.04 g/mol.
Where can I buy Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-?
You can request a quote for Pyrimidine, 4-methyl-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, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.