5-(((4-Chlorophenyl)thio)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione CAS 81863-74-3

Description

Compared with other compounds in its class, the molecular weight of 333.86 g/mol gives 5-(((4-Chlorophenyl)thio)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-(((4-Chlorophenyl)thio)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 81863-74-3) is a high-purity analytical reference standard with the molecular formula C15H12ClN3S2 and a molecular weight of 333.86 g/mol.

Structurally, 5-(((4-Chlorophenyl)thio)methyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (C15H12ClN3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 333.86 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

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

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