5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-1,2,3-thiadiazole CAS 338398-46-2

Description

The occurrence of 5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-1,2,3-thiadiazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-1,2,3-thiadiazole (CAS 338398-46-2), molecular formula C15H11ClN2S2 and molecular weight 318.84 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-1,2,3-thiadiazole (C15H11ClN2S2) 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 318.84 g/mol, it falls into the moderately-high-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.

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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