4-{[(4-Fluorophenyl)Sulfanyl]Methyl}-5-Methyl-1,3-Dioxol-2-One

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Properties Simple | Detailed

Formula C11H9FO3S
IUPAC Name 4-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-1,3-dioxol-2-one
Molecular Mass 240.251 g·mol−1
Heat of Formation -512.4 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 264.34 Å 3
Surface Area 249.75 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-fluorophenyl)thiomethyl-5-methyl-1,3-dioxol-2-one
  • 4-[[(4-fluorophenyl)thio]methyl]-5-methyl-1,3-dioxol-2-one
CAS Number(s)
  • 111738-35-3
InChIKey CPLWLGPEPHDKEM-UHFFFAOYSA-N
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