4-[(Pyridin-3-yl)methyl]-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione CAS 294853-60-4

Purity 97%+In StockPharmaceutical Standards
CAS No.294853-60-4
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-[(Pyridin-3-yl)methyl]-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione CAS 294853-60-4 chemical structure

Description

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.

4-[(Pyridin-3-yl)methyl]-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 294853-60-4), molecular formula C9H7F3N4S and molecular weight 260.24 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-[(Pyridin-3-yl)methyl]-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione (C9H7F3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 260.24 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC9H7F3N4S
Molecular Weight260.24 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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