1-(4,4-Dimethyl-1,1-Dioxido-3,4-Dihydro-2H-Thiochromen-6-Yl)Ethanone

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Properties Simple | Detailed

Formula C13H16O3S
IUPAC Name 1-(4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)ethanone
Molecular Mass 252.329 g·mol−1
Heat of Formation -482.5 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 293.95 Å 3
Surface Area 258.77 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1,1-diketo-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethanone
  • 4,4-dckd
  • 4,4-dimethylthiochroman-6-yl methyl ketone 1,1-dioxide
CAS Number(s)
  • 92788-09-5
InChIKey ICHLZFTYIRCGMT-UHFFFAOYSA-N
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