(R)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(2-(dimethylamino)-3-methylbutyl)thiourea CAS 2415751-57-2

Purity 97%+In StockPharmaceutical Standards
CAS No.2415751-57-2
Molecular FormulaC16H21F6N3S
Molecular Weight401.41 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(R)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(2-(dimethylamino)-3-methylbutyl)thiourea CAS 2415751-57-2 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (R)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(2-(dimethylamino)-3-methylbutyl)thiourea.

(R)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(2-(dimethylamino)-3-methylbutyl)thiourea (CAS 2415751-57-2), molecular formula C16H21F6N3S and molecular weight 401.41 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C16H21F6N3S, (R)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(2-(dimethylamino)-3-methylbutyl)thiourea contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 401.41 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 FormulaC16H21F6N3S
Molecular Weight401.41 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2000
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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