3837AE 448948-73-0 C10H9NO2S Methyl 3-(isothiocyanatomethyl)benzoate CAS 448948-73-0

Purity 97%+In StockPharmaceutical Standards
CAS No.448948-73-0
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3837AE
448948-73-0
C10H9NO2S
Methyl 3-(isothiocyanatomethyl)benzoate CAS 448948-73-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 207.25 g/mol gives 3837AE 448948-73-0 C10H9NO2S Methyl 3-(isothiocyanatomethyl)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3837AE 448948-73-0 C10H9NO2S Methyl 3-(isothiocyanatomethyl)benzoate (CAS 448948-73-0) is a high-purity analytical reference standard with the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol.

Structurally, 3837AE 448948-73-0 C10H9NO2S Methyl 3-(isothiocyanatomethyl)benzoate (C10H9NO2S) 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 207.25 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 FormulaC10H9NO2S
Molecular Weight207.25 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.)2025
Nitrogen Atoms1
Sulfur Atoms1

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