2-(Trifluoromethyl)-4H-thiochromene-4-thione CAS 938055-87-9

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(Trifluoromethyl)-4H-thiochromene-4-thione.

2-(Trifluoromethyl)-4H-thiochromene-4-thione (CAS 938055-87-9), molecular formula C10H5F3S2 and molecular weight 246.27 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(Trifluoromethyl)-4H-thiochromene-4-thione (C10H5F3S2) contains sulfur-containing functionality, fluorine substitution, an aromatic ring system. 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 246.27 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.

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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