3-[(Benzylsulfanyl)methyl]benzoic acid CAS 946730-01-4

Purity 97%+In StockPharmaceutical Standards
CAS No.946730-01-4
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[(Benzylsulfanyl)methyl]benzoic acid CAS 946730-01-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 258.34 g/mol gives 3-[(Benzylsulfanyl)methyl]benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-[(Benzylsulfanyl)methyl]benzoic acid (CAS 946730-01-4) is a high-purity analytical reference standard with the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol.

Based on its molecular formula C15H14O2S, 3-[(Benzylsulfanyl)methyl]benzoic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 258.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

As a certified reference material (CRM), 3-[(Benzylsulfanyl)methyl]benzoic acid 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 FormulaC15H14O2S
Molecular Weight258.34 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Sulfur Atoms1

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