3,3-Bis(methylsulfanyl)-1-[2-(trifluoromethyl)phenyl]prop-2-EN-1-one

Base Information

• Chemical Name: 3,3-Bis(methylsulfanyl)-1-[2-(trifluoromethyl)phenyl]prop-2-EN-1-one
• CAS No.: 116609-90-6
• Molecular Formula: C₁₂H₁₁F₃OS₂
• Molecular Weight: 292.346
• DSSTox Substance ID: DTXSID90561610
• Mol file: 116609-90-6.mol

Synonyms:116609-90-6;3,3-BIS(METHYLSULFANYL)-1-[2-(TRIFLUOROMETHYL)PHENYL]PROP-2-EN-1-ONE;3,3-Bis(Methylsulfanyl)-1-[2-(Trifluoromethyl)Phenyl]-2-Propen-1-One;DTXSID90561610;3,3-BIS-METHYLSULFANYL-1-(2-TRIFLUOROMETHYL-PHENYL)-PROPENONE

Chemical Property of 3,3-Bis(methylsulfanyl)-1-[2-(trifluoromethyl)phenyl]prop-2-EN-1-one

Chemical Property:

• Melting Point: 109.1 °C
• Boiling Point: 358.1±42.0 °C(Predicted)
• PSA: 67.67000
• Density: 1.297±0.06 g/cm3(Predicted)
• LogP: 4.45550
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 292.02034180
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

98%min ^*data from raw suppliers

3,3-BIS-METHYLSULFANYL-1-(2-TRIFLUOROMETHYL-PHENYL)-PROPENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=CC(=O)C1=CC=CC=C1C(F)(F)F)SC

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