2-((2,6-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 587012-18-8

Purity 97%+In StockPharmaceutical Standards
CAS No.587012-18-8
Molecular FormulaC19H18Cl2N2OS2
Molecular Weight425.40 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((2,6-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 587012-18-8 chemical structure

Description

2-((2,6-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 587012-18-8) is a high-purity analytical reference standard with the molecular formula C19H18Cl2N2OS2 and a molecular weight of 425.40 g/mol.

Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 2-((2,6-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 425.40 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.

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.

As a certified reference material (CRM), 2-((2,6-Dichlorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC19H18Cl2N2OS2
Molecular Weight425.40 g/mol
Purity97%+
StorageStore at room temperature, 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms2

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