5-Ethyl-4-(2,2,2-trifluoroethyl)-4h-1,2,4-triazole-3-thiol CAS 1038383-13-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1038383-13-9
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Ethyl-4-(2,2,2-trifluoroethyl)-4h-1,2,4-triazole-3-thiol CAS 1038383-13-9 chemical structure

Description

5-Ethyl-4-(2,2,2-trifluoroethyl)-4h-1,2,4-triazole-3-thiol (CAS 1038383-13-9) is a high-purity analytical reference standard with the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol.

Owing to a nitrile group, sulfur-containing functionality, fluorine substitution, 5-Ethyl-4-(2,2,2-trifluoroethyl)-4h-1,2,4-triazole-3-thiol is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 211.21 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.

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 FormulaC6H8F3N3S
Molecular Weight211.21 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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1988
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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