1-Methyl-5-[4-methyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole CAS 338747-67-4

Purity 97%+In StockPharmaceutical Standards
CAS No.338747-67-4
Molecular FormulaC13H10F3N5S2
Molecular Weight357.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Methyl-5-[4-methyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole CAS 338747-67-4 chemical structure

Description

The molecular framework of 1-Methyl-5-[4-methyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (C13H10F3N5S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).

1-Methyl-5-[4-methyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (CAS 338747-67-4) is a high-purity analytical reference standard with the molecular formula C13H10F3N5S2 and a molecular weight of 357.38 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.

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 FormulaC13H10F3N5S2
Molecular Weight357.38 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms5
Sulfur Atoms2

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