2-(1,3-Dithiolan-2-Ylidene)-1-Phenyl-1,3-Butanedione

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Properties Simple | Detailed

Formula C13H12O2S2
IUPAC Name 2-(1,3-dithiolan-2-ylidene)-1-phenyl-butane-1,3-dione
Molecular Mass 264.363 g·mol−1
Heat of Formation -141.8 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 301.86 Å 3
Surface Area 266.04 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-butanedione, 2-(1,3-dithiolan-2-ylidene)-1-phenyl-
  • 2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione
  • kz 1026
  • kz-1026
CAS Number(s)
  • 74440-20-3
InChIKey JZPYFWUDLGQTDS-UHFFFAOYSA-N
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