3-Methyl-2-((4-methylbenzyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 339101-58-5
| CAS No. | 339101-58-5 |
| Molecular Formula | C14H13F3N2OS |
| Molecular Weight | 314.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Methyl-2-((4-methylbenzyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 339101-58-5) is a high-purity analytical reference standard with the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol.
3-Methyl-2-((4-methylbenzyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one (C14H13F3N2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C14H13F3N2OS |
| Molecular Weight | 314.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methyl Standards
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Recommended Standards
- 3'-(4-Fluorophenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione (CAS 79962-58-6)
- 3-Methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one (CAS 339101-63-2)
- 3-(2-Methoxy-4'-(methoxycarbonyl)-[1,1'-biphenyl]-4-yl)propanoic acid (CAS 406233-39-4)
- 3-Methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one (CAS 339101-61-0)
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