3,3-Bis(Methylsulfanyl)-1-[3-(Trifluoromethyl)Phenyl]Prop-2-En-1-One CAS 116609-88-2
| CAS No. | 116609-88-2 |
| Molecular Formula | C12H11F3OS2 |
| Molecular Weight | 292.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3,3-Bis(Methylsulfanyl)-1-[3-(Trifluoromethyl)Phenyl]Prop-2-En-1-One (CAS 116609-88-2) 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-[3-(Trifluoromethyl)Phenyl]Prop-2-En-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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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
| Molecular Formula | C12H11F3OS2 |
| Molecular Weight | 292.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Sulfur Atoms | 2 |
Related Bis Standards
- 3,3-Bis(Methylsulfanyl)-1-[4-(Trifluoromethyl)Phenyl]-2-Propen-1-One (CAS 116609-87-1)
- 3,3-Bis(Methylsulfanyl)-1-[2-(Trifluoromethyl)Phenyl]-2-Propen-1-One (CAS 116609-90-6)
- 4-(methylsulfanyl)-2-octanamidobutanoic acid (CAS 21394-50-3)
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