3-[3-mercapto-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]propanoic acid CAS 847783-63-5

Purity 97%+In StockPharmaceutical Standards
CAS No.847783-63-5
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[3-mercapto-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]propanoic acid CAS 847783-63-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 263.32 g/mol gives 3-[3-mercapto-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]propanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-[3-mercapto-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]propanoic acid (CAS 847783-63-5) is a high-purity analytical reference standard with the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol.

The molecular framework of 3-[3-mercapto-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]propanoic acid (C12H13N3O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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. 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.

CATO manufactures 3-[3-mercapto-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]propanoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3
Sulfur Atoms1

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