2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one CAS 494202-79-8

Purity 97%+In StockPharmaceutical Standards
CAS No.494202-79-8
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one CAS 494202-79-8 chemical structure

Description

The occurrence of 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one (CAS 494202-79-8), a certified reference material (molecular formula C12H10ClFN2OS, MW 284.74 g/mol) for analytical method development and quality control.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3,4-dihydropyrimidin-4-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 284.74 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

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 FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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