5-(((4-Methylbenzyl)thio)methyl)isoxazol-3(2H)-one CAS 89660-80-0

Purity 97%+In StockPharmaceutical Standards
CAS No.89660-80-0
Molecular FormulaC12H13NO2S
Molecular Weight235.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(((4-Methylbenzyl)thio)methyl)isoxazol-3(2H)-one CAS 89660-80-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 235.30 g/mol gives 5-(((4-Methylbenzyl)thio)methyl)isoxazol-3(2H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-(((4-Methylbenzyl)thio)methyl)isoxazol-3(2H)-one (CAS 89660-80-0) is a high-purity analytical reference standard with the molecular formula C12H13NO2S and a molecular weight of 235.30 g/mol.

Structurally, 5-(((4-Methylbenzyl)thio)methyl)isoxazol-3(2H)-one (C12H13NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 235.30 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).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), 5-(((4-Methylbenzyl)thio)methyl)isoxazol-3(2H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC12H13NO2S
Molecular Weight235.30 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1982
Nitrogen Atoms1
Sulfur Atoms1

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