2-((2,4-Dichlorobenzyl)thio)-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one CAS 587008-96-6

Purity 97%+In StockPharmaceutical Standards
CAS No.587008-96-6
Molecular FormulaC17H16Cl2N2OS2
Molecular Weight399.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((2,4-Dichlorobenzyl)thio)-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one CAS 587008-96-6 chemical structure

Description

The molecular framework of 2-((2,4-Dichlorobenzyl)thio)-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (C17H16Cl2N2OS2) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

2-((2,4-Dichlorobenzyl)thio)-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 587008-96-6) is a high-purity analytical reference standard with the molecular formula C17H16Cl2N2OS2 and a molecular weight of 399.36 g/mol.

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 FormulaC17H16Cl2N2OS2
Molecular Weight399.36 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms2

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