4-(4-Butyl-phenyl)-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol CAS 525581-96-8

Purity 97%+In StockPharmaceutical Standards
CAS No.525581-96-8
Molecular FormulaC16H17N3S2
Molecular Weight315.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Butyl-phenyl)-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol CAS 525581-96-8 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(4-Butyl-phenyl)-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol.

4-(4-Butyl-phenyl)-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol (CAS 525581-96-8), molecular formula C16H17N3S2 and molecular weight 315.46 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 4-(4-Butyl-phenyl)-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol (C16H17N3S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC16H17N3S2
Molecular Weight315.46 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Nitrogen Atoms3
Sulfur Atoms2

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