N-(4-chlorophenyl)-2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide CAS 87874-93-9

Purity 97%+In StockPharmaceutical Standards
CAS No.87874-93-9
Molecular FormulaC15H16ClNO2S
Molecular Weight309.81 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(4-chlorophenyl)-2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide CAS 87874-93-9 chemical structure

Description

N-(4-chlorophenyl)-2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide (CAS 87874-93-9), molecular formula C15H16ClNO2S and molecular weight 309.81 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of N-(4-chlorophenyl)-2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide (C15H16ClNO2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC15H16ClNO2S
Molecular Weight309.81 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1982
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms1

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