3,3-Bis(Methylsulfanyl)-1-[2-(Trifluoromethyl)Phenyl]-2-Propen-1-One CAS 116609-90-6

Purity 97%+In StockPharmaceutical Standards
CAS No.116609-90-6
Molecular FormulaC12H11F3OS2
Molecular Weight292.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,3-Bis(Methylsulfanyl)-1-[2-(Trifluoromethyl)Phenyl]-2-Propen-1-One CAS 116609-90-6 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3,3-Bis(Methylsulfanyl)-1-[2-(Trifluoromethyl)Phenyl]-2-Propen-1-One.

3,3-Bis(Methylsulfanyl)-1-[2-(Trifluoromethyl)Phenyl]-2-Propen-1-One (CAS 116609-90-6) is a high-purity analytical reference standard with the molecular formula C12H11F3OS2 and a molecular weight of 292.34 g/mol.

Structurally, 3,3-Bis(Methylsulfanyl)-1-[2-(Trifluoromethyl)Phenyl]-2-Propen-1-One (C12H11F3OS2) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 292.34 g/mol, it falls into the medium-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.

As a certified reference material (CRM), 3,3-Bis(Methylsulfanyl)-1-[2-(Trifluoromethyl)Phenyl]-2-Propen-1-One 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 FormulaC12H11F3OS2
Molecular Weight292.34 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF-containing
Sulfur Atoms2

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