3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole CAS 692287-18-6

Purity 97%+In StockPharmaceutical Standards
CAS No.692287-18-6
Molecular FormulaC20H17Cl2N3S
Molecular Weight402.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole CAS 692287-18-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 402.34 g/mol gives 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole (CAS 692287-18-6), a certified reference material (molecular formula C20H17Cl2N3S, MW 402.34 g/mol) for analytical method development and quality control.

The molecular framework of 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole (C20H17Cl2N3S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

CATO manufactures 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC20H17Cl2N3S
Molecular Weight402.34 g/mol
Purity97%+
StorageStore at room temperature, 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.)1985
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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