N-(2,5-Dichlorophenyl)-2-(methylthio)nicotinamide CAS 1012525-61-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1012525-61-9
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(2,5-Dichlorophenyl)-2-(methylthio)nicotinamide CAS 1012525-61-9 chemical structure

Description

N-(2,5-Dichlorophenyl)-2-(methylthio)nicotinamide (CAS 1012525-61-9) is a high-purity analytical reference standard with the molecular formula C13H10Cl2N2OS and a molecular weight of 313.20 g/mol.

Structurally, N-(2,5-Dichlorophenyl)-2-(methylthio)nicotinamide (C13H10Cl2N2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 313.20 g/mol, it falls into the moderately-high-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 FormulaC13H10Cl2N2OS
Molecular Weight313.20 g/mol
Purity97%+
StorageStore at 2-8°C, 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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