3-((4-Fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine CAS 449746-19-4

Purity 97%+In StockPharmaceutical Standards
CAS No.449746-19-4
Molecular FormulaC12H15FN4S
Molecular Weight266.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((4-Fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine CAS 449746-19-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 266.34 g/mol gives 3-((4-Fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-((4-Fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine (CAS 449746-19-4) is a high-purity analytical reference standard with the molecular formula C12H15FN4S and a molecular weight of 266.34 g/mol.

3-((4-Fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine (C12H15FN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

As a certified reference material (CRM), 3-((4-Fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine 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 FormulaC12H15FN4S
Molecular Weight266.34 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms4
Sulfur Atoms1

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