5-((Butylthio)methyl)isoxazol-3(2H)-one CAS 89660-66-2

Purity 97%+In StockPharmaceutical Standards
CAS No.89660-66-2
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-((Butylthio)methyl)isoxazol-3(2H)-one CAS 89660-66-2 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-((Butylthio)methyl)isoxazol-3(2H)-one.

5-((Butylthio)methyl)isoxazol-3(2H)-one (CAS 89660-66-2), molecular formula C8H13NO2S and molecular weight 187.26 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-((Butylthio)methyl)isoxazol-3(2H)-one (C8H13NO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 187.26 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1982
Nitrogen Atoms1
Sulfur Atoms1

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