2-(3-Chlorophenyl)-6-methylpyrimidine-4(3H)-thione CAS 1239759-77-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1239759-77-3
Molecular FormulaC11H9ClN2S
Molecular Weight236.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(3-Chlorophenyl)-6-methylpyrimidine-4(3H)-thione CAS 1239759-77-3 chemical structure

Description

The occurrence of 2-(3-Chlorophenyl)-6-methylpyrimidine-4(3H)-thione is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(3-Chlorophenyl)-6-methylpyrimidine-4(3H)-thione (CAS 1239759-77-3) is a high-purity analytical reference standard with the molecular formula C11H9ClN2S and a molecular weight of 236.72 g/mol.

2-(3-Chlorophenyl)-6-methylpyrimidine-4(3H)-thione (C11H9ClN2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine 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 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).

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 FormulaC11H9ClN2S
Molecular Weight236.72 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.)1990
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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