N-(2-cyano-5-((cyanomethyl)thio)-4-phenylthiophen-3-yl)-4-fluorobenzamide CAS 860609-93-4

Purity 97%+In StockPharmaceutical Standards
CAS No.860609-93-4
Molecular FormulaC20H12FN3OS2
Molecular Weight393.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(2-cyano-5-((cyanomethyl)thio)-4-phenylthiophen-3-yl)-4-fluorobenzamide CAS 860609-93-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 393.46 g/mol gives N-(2-cyano-5-((cyanomethyl)thio)-4-phenylthiophen-3-yl)-4-fluorobenzamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies N-(2-cyano-5-((cyanomethyl)thio)-4-phenylthiophen-3-yl)-4-fluorobenzamide (CAS 860609-93-4), a certified reference material (molecular formula C20H12FN3OS2, MW 393.46 g/mol) for analytical method development and quality control.

Structurally, N-(2-cyano-5-((cyanomethyl)thio)-4-phenylthiophen-3-yl)-4-fluorobenzamide (C20H12FN3OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 393.46 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.

As a certified reference material (CRM), N-(2-cyano-5-((cyanomethyl)thio)-4-phenylthiophen-3-yl)-4-fluorobenzamide 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 FormulaC20H12FN3OS2
Molecular Weight393.46 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)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms2

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