2-((5-(3-(4-Fluorophenyl)ureido)-1,3,4-thiadiazol-2-yl)thio)-N-methylacetamide CAS 886937-61-7

Purity 97%+In StockPharmaceutical Standards
CAS No.886937-61-7
Molecular FormulaC12H12FN5O2S2
Molecular Weight341.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((5-(3-(4-Fluorophenyl)ureido)-1,3,4-thiadiazol-2-yl)thio)-N-methylacetamide CAS 886937-61-7 chemical structure

Description

2-((5-(3-(4-Fluorophenyl)ureido)-1,3,4-thiadiazol-2-yl)thio)-N-methylacetamide (C12H12FN5O2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

2-((5-(3-(4-Fluorophenyl)ureido)-1,3,4-thiadiazol-2-yl)thio)-N-methylacetamide (CAS 886937-61-7) is a high-purity analytical reference standard with the molecular formula C12H12FN5O2S2 and a molecular weight of 341.38 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 FormulaC12H12FN5O2S2
Molecular Weight341.38 g/mol
Purity97%+
StorageStore at 2-8°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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms5
Sulfur Atoms2

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