5,5′-[[4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[(3,3′′-dioctyl[2,2′:5′,2′′-terthiophene]-5′′,5-diyl)methylidyne]]bis[3-octyl-2-thioxo-4-thiazolidinone] CAS 1651168-29-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1651168-29-4
Molecular FormulaC114H152N2O2S14
Molecular Weight2031.35 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5,5′-[[4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[(3,3′′-dioctyl[2,2′:5′,2′′-terthiophene]-5′′,5-diyl)methylidyne]]bis[3-octyl-2-thioxo-4-thiazolidinone] CAS 1651168-29-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 2031.35 g/mol gives 5,5′-[[4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[(3,3′′-dioctyl[2,2′:5′,2′′-terthiophene]-5′′,5-diyl)methylidyne]]bis[3-octyl-2-thioxo-4-thiazolidinone] distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 5,5′-[[4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[(3,3′′-dioctyl[2,2′:5′,2′′-terthiophene]-5′′,5-diyl)methylidyne]]bis[3-octyl-2-thioxo-4-thiazolidinone] (CAS 1651168-29-4), a certified reference material (molecular formula C114H152N2O2S14, MW 2031.35 g/mol) for analytical method development and quality control.

The molecular framework of 5,5′-[[4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[(3,3′′-dioctyl[2,2′:5′,2′′-terthiophene]-5′′,5-diyl)methylidyne]]bis[3-octyl-2-thioxo-4-thiazolidinone] (C114H152N2O2S14) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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. 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 FormulaC114H152N2O2S14
Molecular Weight2031.35 g/mol
Purity97%+
StorageStore in a cool place (≤25°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
Degree of Unsaturation (DBE)40.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1993
Nitrogen Atoms2
Sulfur Atoms14

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