1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperidine-4-carbothioic acid S-(4-chloro-phenyl) ester CAS 1311279-18-1

Purity 97%+In StockPharmaceutical Standards
CAS No.1311279-18-1
Molecular FormulaC19H17Cl2F3N2OS
Molecular Weight449.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperidine-4-carbothioic acid S-(4-chloro-phenyl) ester CAS 1311279-18-1 chemical structure

Description

1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperidine-4-carbothioic acid S-(4-chloro-phenyl) ester (CAS 1311279-18-1), molecular formula C19H17Cl2F3N2OS and molecular weight 449.32 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C19H17Cl2F3N2OS, 1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperidine-4-carbothioic acid S-(4-chloro-phenyl) ester contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 449.32 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

As a certified reference material (CRM), 1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperidine-4-carbothioic acid S-(4-chloro-phenyl) ester meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC19H17Cl2F3N2OS
Molecular Weight449.32 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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