S-(tert-Butyl) 2-((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)oxy)ethanethioate CAS 754983-44-3

Purity 97%+In StockPharmaceutical Standards
CAS No.754983-44-3
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

S-(tert-Butyl) 2-((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)oxy)ethanethioate CAS 754983-44-3 chemical structure

Description

The occurrence of S-(tert-Butyl) 2-((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)oxy)ethanethioate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies S-(tert-Butyl) 2-((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)oxy)ethanethioate (CAS 754983-44-3), a certified reference material (molecular formula C11H15F3N2O2S, MW 296.31 g/mol) for analytical method development and quality control.

Structurally, S-(tert-Butyl) 2-((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)oxy)ethanethioate (C11H15F3N2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 296.31 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

Recommended Standards

Why CATO?