3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole CAS 81518-31-2

Purity 97%+In StockPharmaceutical Standards
CAS No.81518-31-2
Molecular FormulaC17H14ClN3S
Molecular Weight327.83 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole CAS 81518-31-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 327.83 g/mol gives 3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole (CAS 81518-31-2), a certified reference material (molecular formula C17H14ClN3S, MW 327.83 g/mol) for analytical method development and quality control.

Structurally, 3-(Allylthio)-5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole (C17H14ClN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 327.83 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC17H14ClN3S
Molecular Weight327.83 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1980
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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