4-(4-Butyl-5-mercapto-4H-1,2,4-triazol-3-yl)phenol CAS 23714-49-0

Purity 97%+In StockPharmaceutical Standards
CAS No.23714-49-0
Molecular FormulaC12H15N3OS
Molecular Weight249.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Butyl-5-mercapto-4H-1,2,4-triazol-3-yl)phenol CAS 23714-49-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 249.33 g/mol gives 4-(4-Butyl-5-mercapto-4H-1,2,4-triazol-3-yl)phenol distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-(4-Butyl-5-mercapto-4H-1,2,4-triazol-3-yl)phenol (CAS 23714-49-0), molecular formula C12H15N3OS and molecular weight 249.33 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 4-(4-Butyl-5-mercapto-4H-1,2,4-triazol-3-yl)phenol is typically off-white to pale yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 249.33 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC12H15N3OS
Molecular Weight249.33 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1963
Nitrogen Atoms3
Sulfur Atoms1

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