2-(Methylthio)-4-((4-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxylicacid CAS 1065075-64-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1065075-64-0
Molecular FormulaC13H10F3N3O2S
Molecular Weight329.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Methylthio)-4-((4-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxylicacid CAS 1065075-64-0 chemical structure

Description

CATO supplies 2-(Methylthio)-4-((4-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxylicacid (CAS 1065075-64-0), a certified reference material (molecular formula C13H10F3N3O2S, MW 329.30 g/mol) for analytical method development and quality control.

Structurally, 2-(Methylthio)-4-((4-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxylicacid (C13H10F3N3O2S) 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 329.30 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC13H10F3N3O2S
Molecular Weight329.30 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.)1988
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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