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3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile

Synonyms: 3-[2-(4-(methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine · 3-[2-(4-(methylthio)phenyl)-2-cyanoacetyl] (6-methyl)pyridine · 3-(6-Methylpyridin-3-yl)-2-[4-(methylsulfanyl)phenyl]-3-oxopropanenitrile · 6-Methyl-I+/--[4-(methylthio)phenyl]-I(2)-oxo-3-pyridinepropanenitrile

CAS No.321913-54-6
FormulaC16H14N2OS
Mol. weight282.40
Catalogue No.VQ-048317
PurityReference Standard
HSN38229090

3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile (CAS 321913-54-6) – Etoricoxib impurity standard. C16H14N2OS, MW 282.4. COA included.

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100 mg
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About 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile

3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile is an impurity of Etoricoxib carrying the CAS registry number 321913-54-6. The compound has the formula C16H14N2OS, corresponding to a molecular weight of 282.4 g/mol. Its systematic (IUPAC) name is 3-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)-3-oxopropanenitrile.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Good laboratory practice and suitable PPE are recommended during handling.

This Etoricoxib impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. It is used across pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile is dispatched with a Certificate of Analysis (COA) to destinations worldwide. SDS and detailed specification sheets can be requested with your quotation.

Typical applications

  • Analytical method development
  • Method validation (AMV)
  • QC release testing
  • ANDA / DMF filings

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Related to Etoricoxib

View every impurity, metabolite and intermediate we list for Etoricoxib.

Etoricoxib impurities

Specifications & identifiers

Chemical identifiers
Product name3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile
Catalogue No.VQ-048317
CAS Number321913-54-6
IUPAC name3-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)-3-oxopropanenitrile
Molecular formulaC16H14N2OS
Molecular weight282.4 g/mol
Exact mass282.0827
GradeReference Standard
HSN code38229090
InChIKeyOBCGEALAAFPYBA-UHFFFAOYSA-N
SMILESCC1=NC=C(C=C1)C(=O)C(C#N)C2=CC=C(C=C2)SC
PubChem CID11300542
Physical properties
Physical formSolid
LogP (XLogP3)3
H-bond donors / acceptors0 / 4
TPSA79.1 Ų

Documents

Frequently asked questions

What is the CAS number of 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile?

The CAS Registry Number of 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile is 321913-54-6. It is also known as 3-[2-(4-(methylthio)phenyl)-2-cyanoacetyl](6-methyl)pyridine, 3-[2-(4-(methylthio)phenyl)-2-cyanoacetyl] (6-methyl)pyridine, 3-(6-Methylpyridin-3-yl)-2-[4-(methylsulfanyl)phenyl]-3-oxopropanenitrile.

What is the molecular formula and molecular weight of 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile?

3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile has the molecular formula C16H14N2OS and a molecular weight of 282.4 g/mol. Its IUPAC name is 3-(6-methyl-3-pyridinyl)-2-(4-methylsulfanylphenyl)-3-oxopropanenitrile.

What is 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile used for?

3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile is supplied as a characterised reference material related to Etoricoxib. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile can I order?

We supply 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile?

Yes. Every lot of 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile be shipped internationally?

Yes. We export 3-(6-Methylpyridin-3-yl)-2-(4-(methylthio)phenyl)-3-oxopropanenitrile worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.

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Reference Standard
Etoricoxib-d4 chemical structure
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1131345-14-6
Formula
C18H15ClN2O2S
MW
362.9 g/mol
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