1-(3,4-Dimethoxybenzyl)-3-(4-(trifluoromethoxy)phenyl)thiourea CAS 1119391-84-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1119391-84-2
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.39 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3,4-Dimethoxybenzyl)-3-(4-(trifluoromethoxy)phenyl)thiourea CAS 1119391-84-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 386.39 g/mol gives 1-(3,4-Dimethoxybenzyl)-3-(4-(trifluoromethoxy)phenyl)thiourea distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 1-(3,4-Dimethoxybenzyl)-3-(4-(trifluoromethoxy)phenyl)thiourea (CAS 1119391-84-2), a certified reference material (molecular formula C17H17F3N2O3S, MW 386.39 g/mol) for analytical method development and quality control.

Based on its molecular formula C17H17F3N2O3S, 1-(3,4-Dimethoxybenzyl)-3-(4-(trifluoromethoxy)phenyl)thiourea contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 386.39 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC17H17F3N2O3S
Molecular Weight386.39 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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