2-((2-Oxopropyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 866049-80-1

Purity 97%+In StockPharmaceutical Standards
CAS No.866049-80-1
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((2-Oxopropyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 866049-80-1 chemical structure

Description

Structurally, 2-((2-Oxopropyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (C14H11F3N2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 328.31 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

2-((2-Oxopropyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 866049-80-1), molecular formula C14H11F3N2O2S and molecular weight 328.31 g/mol, is a CATO reference standard with documented purity and traceability.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

As a certified reference material (CRM), 2-((2-Oxopropyl)thio)-3-phenyl-6-(trifluoromethyl)pyrimidin-4(3H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC14H11F3N2O2S
Molecular Weight328.31 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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