3-(2-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione CAS 578720-77-1

Purity 97%+In StockPharmaceutical Standards
CAS No.578720-77-1
Molecular FormulaC16H13FN4S2
Molecular Weight344.43 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(2-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione CAS 578720-77-1 chemical structure

Description

Structurally, 3-(2-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (C16H13FN4S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 344.43 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

3-(2-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 578720-77-1) is a high-purity analytical reference standard with the molecular formula C16H13FN4S2 and a molecular weight of 344.43 g/mol.

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-(2-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione 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 FormulaC16H13FN4S2
Molecular Weight344.43 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentF-containing
Nitrogen Atoms4
Sulfur Atoms2

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