3-(4-Chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole CAS 31409-18-4

Purity 97%+In StockPharmaceutical Standards
CAS No.31409-18-4
Molecular FormulaC11H12ClN3S
Molecular Weight253.75 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-Chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole CAS 31409-18-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 253.75 g/mol gives 3-(4-Chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(4-Chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole (CAS 31409-18-4), molecular formula C11H12ClN3S and molecular weight 253.75 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-(4-Chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole (C11H12ClN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 253.75 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

As a certified reference material (CRM), 3-(4-Chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole 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 FormulaC11H12ClN3S
Molecular Weight253.75 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1965
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

Related Chlorophenyl Standards

Recommended Standards

Why CATO?