S-Benzyl 4-methylbenzenesulfonothioate CAS 16601-02-8

Purity 97%+In StockPharmaceutical Standards
CAS No.16601-02-8
Molecular FormulaC20H22NO2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

S-Benzyl 4-methylbenzenesulfonothioate CAS 16601-02-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 395.20 g/mol gives S-Benzyl 4-methylbenzenesulfonothioate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

S-Benzyl 4-methylbenzenesulfonothioate (CAS 16601-02-8), molecular formula C20H22NO2BF4 and molecular weight 395.20 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, S-Benzyl 4-methylbenzenesulfonothioate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 395.20 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

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 FormulaC20H22NO2 BF4
Molecular Weight395.20 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1961
Halogen ContentF-containing
Nitrogen Atoms1

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