5-Methoxy-4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine CAS 478030-30-7

Purity 97%+In StockPharmaceutical Standards
CAS No.478030-30-7
Molecular FormulaC18H13F3N2OS
Molecular Weight362.37 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Methoxy-4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine CAS 478030-30-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 362.37 g/mol gives 5-Methoxy-4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Methoxy-4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 478030-30-7) is a high-purity analytical reference standard with the molecular formula C18H13F3N2OS and a molecular weight of 362.37 g/mol.

Structurally, 5-Methoxy-4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine (C18H13F3N2OS) 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 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 362.37 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.

As a certified reference material (CRM), 5-Methoxy-4-(phenylsulfanyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC18H13F3N2OS
Molecular Weight362.37 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.)2025
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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