3-{[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-4-methyl-4,5-dihydro-1h-1,2,4-triazol-5-one CAS 1249500-54-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1249500-54-6
Molecular FormulaC6H6ClN5OS2
Molecular Weight263.73 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-{[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-4-methyl-4,5-dihydro-1h-1,2,4-triazol-5-one CAS 1249500-54-6 chemical structure

Description

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.

3-{[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-4-methyl-4,5-dihydro-1h-1,2,4-triazol-5-one (CAS 1249500-54-6), molecular formula C6H6ClN5OS2 and molecular weight 263.73 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 3-{[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-4-methyl-4,5-dihydro-1h-1,2,4-triazol-5-one (C6H6ClN5OS2) is characterized by an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

As a certified reference material (CRM), 3-{[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]sulfanyl}-4-methyl-4,5-dihydro-1h-1,2,4-triazol-5-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC6H6ClN5OS2
Molecular Weight263.73 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentCl-containing
Nitrogen Atoms5
Sulfur Atoms2

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