6-(4-chlorobenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one CAS 221121-51-3

Purity 97%+In StockPharmaceutical Standards
CAS No.221121-51-3
Molecular FormulaC11H9ClN2OS
Molecular Weight252.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-(4-chlorobenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one CAS 221121-51-3 chemical structure

Description

The occurrence of 6-(4-chlorobenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

6-(4-chlorobenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one (CAS 221121-51-3), molecular formula C11H9ClN2OS and molecular weight 252.72 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 6-(4-chlorobenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 252.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO manufactures 6-(4-chlorobenzyl)-2-thioxo-2,3-dihydropyrimidin-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 FormulaC11H9ClN2OS
Molecular Weight252.72 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.)2020
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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