Trans-4-oxo-1,6-diphenyl-2-thioxohexahydropyrimidine-5-carbonitrile CAS 110214-43-2

Purity 97%+In StockPharmaceutical Standards
CAS No.110214-43-2
Molecular FormulaC17H13N3OS
Molecular Weight307.37 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Trans-4-oxo-1,6-diphenyl-2-thioxohexahydropyrimidine-5-carbonitrile CAS 110214-43-2 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Trans-4-oxo-1,6-diphenyl-2-thioxohexahydropyrimidine-5-carbonitrile.

Trans-4-oxo-1,6-diphenyl-2-thioxohexahydropyrimidine-5-carbonitrile (CAS 110214-43-2) is a high-purity analytical reference standard with the molecular formula C17H13N3OS and a molecular weight of 307.37 g/mol.

Based on its molecular formula C17H13N3OS, Trans-4-oxo-1,6-diphenyl-2-thioxohexahydropyrimidine-5-carbonitrile contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 307.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC17H13N3OS
Molecular Weight307.37 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Nitrogen Atoms3
Sulfur Atoms1

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