1-(3,5-bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea CAS 13795-11-4

Description

Compared with other compounds in its class, the molecular weight of 408.36 g/mol gives 1-(3,5-bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-(3,5-bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea (CAS 13795-11-4), molecular formula C17H14F6N2OS and molecular weight 408.36 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1-(3,5-bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea (C17H14F6N2OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 408.36 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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