4-(4-(Tert-butyl)phenyl)-5-thioxo-1,2,4-triazolidin-3-one CAS 680217-67-8

Purity 97%+In StockPharmaceutical Standards
CAS No.680217-67-8
Molecular FormulaC12H15N3OS
Molecular Weight249.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-(Tert-butyl)phenyl)-5-thioxo-1,2,4-triazolidin-3-one CAS 680217-67-8 chemical structure

Description

The occurrence of 4-(4-(Tert-butyl)phenyl)-5-thioxo-1,2,4-triazolidin-3-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-(4-(Tert-butyl)phenyl)-5-thioxo-1,2,4-triazolidin-3-one (CAS 680217-67-8) is a high-purity analytical reference standard with the molecular formula C12H15N3OS and a molecular weight of 249.33 g/mol.

The molecular framework of 4-(4-(Tert-butyl)phenyl)-5-thioxo-1,2,4-triazolidin-3-one (C12H15N3OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 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.)1985
Nitrogen Atoms3
Sulfur Atoms1

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