1,1,1-Trifluoro-3-hexylsulfanylpropan-2-one

Base Information

• Chemical Name: 1,1,1-Trifluoro-3-hexylsulfanylpropan-2-one
• CAS No.: 133311-65-6
• Molecular Formula: C9H15F3OS
• DSSTox Substance ID: DTXSID00434189
• Wikidata: Q82248531
• Pharos Ligand ID: 3LAMGSNSND19
• ChEMBL ID: CHEMBL440542

Synonyms:CHEMBL440542;133311-65-6;1,1,1-trifluoro-3-hexylsulfanylpropan-2-one;D0Z7WK;DTXSID00434189;BDBM50371971;PD179093;1,1,1-trifluoro-3-(hexylthio)propan-2-one

Chemical Property of 1,1,1-Trifluoro-3-hexylsulfanylpropan-2-one

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 228.07957076
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCSCC(=O)C(F)(F)F

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