5-((Octylthio)methyl)isoxazol-3(2H)-one CAS 89660-69-5

Purity 97%+In StockPharmaceutical Standards
CAS No.89660-69-5
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-((Octylthio)methyl)isoxazol-3(2H)-one CAS 89660-69-5 chemical structure

Description

5-((Octylthio)methyl)isoxazol-3(2H)-one (CAS 89660-69-5), molecular formula C12H21NO2S and molecular weight 243.37 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-((Octylthio)methyl)isoxazol-3(2H)-one (C12H21NO2S) 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 243.37 g/mol, it falls into the medium-molecular-weight range. 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.

CATO manufactures 5-((Octylthio)methyl)isoxazol-3(2H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
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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