3-Phenylthiopropan-2-One

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Properties Simple | Detailed

Formula C9H10OS
IUPAC Name 1-phenylsulfanylpropan-2-one
Molecular Mass 166.240 g·mol−1
Heat of Formation -91.4 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 206.81 Å 3
Surface Area 195.06 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(phenylthio)acetone
  • 1-(phenylthio)propan-2-one
  • ghl.pd_mitscher_leg0.697
CAS Number(s)
  • 5042-53-5
InChIKey XREBEJBUPRGGTB-UHFFFAOYSA-N
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