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4-Phenylsulfanyl-butan-2-one
Weight180.272 g/mol
FormulaC10H12OS
Hydrogen Acceptors2
Hydrogen Donors0
Aromatic Rings1
Rotatable Bonds4

4-Phenylsulfanyl-butan-2-one (6110-01-6)

6110-01-6  ·  4-(phenylthio)butan-2-one

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Alternate Names

  • 6110-01-6
  • 4-(phenylthio)butan-2-one
  • SMILES
    CC(=O)CCSC1=CC=CC=C1
  • InChIKey
    AMQQWFLSHDKPPI-UHFFFAOYSA-N

Estimated Properties

Boiling Point 243.83 C EPA T.E.S.T.
Boiling Point 278.23 C EPI Suite
Density 1.07 g/cm3 EPA T.E.S.T.
Flash Point 110.24 C EPA T.E.S.T.
Melting Point 44.42 C EPI Suite
Water Solubility 511.37 mg/L EPA T.E.S.T.
Water Solubility 333.65 mg/L EPI Suite

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Synthesis

Acetonitrile  +  5535-49-9 (Grignard carbonyl)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 4-Phenylsulfanyl-butan-2-one ›

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