5-((2-Fluorophenoxy)methyl)-1,3,4-oxadiazole-2-thiol CAS 731001-99-3

Purity 97%+In StockPharmaceutical Standards
CAS No.731001-99-3
Molecular FormulaC9H7FN2O2S
Molecular Weight226.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-((2-Fluorophenoxy)methyl)-1,3,4-oxadiazole-2-thiol CAS 731001-99-3 chemical structure

Description

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.

5-((2-Fluorophenoxy)methyl)-1,3,4-oxadiazole-2-thiol (CAS 731001-99-3), molecular formula C9H7FN2O2S and molecular weight 226.23 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C9H7FN2O2S, 5-((2-Fluorophenoxy)methyl)-1,3,4-oxadiazole-2-thiol contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 226.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

Physical & Chemical Properties

Molecular FormulaC9H7FN2O2S
Molecular Weight226.23 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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