2,5-Bis((4-nitrobenzyl)thio)-1,3,4-thiadiazole CAS 101291-96-7

Purity 97%+In StockPharmaceutical Standards
CAS No.101291-96-7
Molecular FormulaC16H12N4O4S3
Molecular Weight420.49 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2,5-Bis((4-nitrobenzyl)thio)-1,3,4-thiadiazole CAS 101291-96-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 420.49 g/mol gives 2,5-Bis((4-nitrobenzyl)thio)-1,3,4-thiadiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2,5-Bis((4-nitrobenzyl)thio)-1,3,4-thiadiazole (CAS 101291-96-7) is a high-purity analytical reference standard with the molecular formula C16H12N4O4S3 and a molecular weight of 420.49 g/mol.

2,5-Bis((4-nitrobenzyl)thio)-1,3,4-thiadiazole (C16H12N4O4S3) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC16H12N4O4S3
Molecular Weight420.49 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Nitrogen Atoms4
Sulfur Atoms3

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