3-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole CAS 478079-73-1

Purity 97%+In StockPharmaceutical Standards
CAS No.478079-73-1
Molecular FormulaC20H18FN3S
Molecular Weight351.44 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole CAS 478079-73-1 chemical structure

Description

3-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole (CAS 478079-73-1), molecular formula C20H18FN3S and molecular weight 351.44 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C20H18FN3S, 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 351.44 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), 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole 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 FormulaC20H18FN3S
Molecular Weight351.44 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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