3-(4-Fluorobenzyl)-2-thioxotetrahydropyrimidin-4(1H)-one CAS 842140-76-5

Purity 97%+In StockPharmaceutical Standards
CAS No.842140-76-5
Molecular FormulaC11H11FN2OS
Molecular Weight238.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-Fluorobenzyl)-2-thioxotetrahydropyrimidin-4(1H)-one CAS 842140-76-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 238.28 g/mol gives 3-(4-Fluorobenzyl)-2-thioxotetrahydropyrimidin-4(1H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(4-Fluorobenzyl)-2-thioxotetrahydropyrimidin-4(1H)-one (CAS 842140-76-5), a certified reference material (molecular formula C11H11FN2OS, MW 238.28 g/mol) for analytical method development and quality control.

The molecular framework of 3-(4-Fluorobenzyl)-2-thioxotetrahydropyrimidin-4(1H)-one (C11H11FN2OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

CATO manufactures 3-(4-Fluorobenzyl)-2-thioxotetrahydropyrimidin-4(1H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC11H11FN2OS
Molecular Weight238.28 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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