4-[3-(Dimethylamino)Propoxy]-2H-Thiochromen-2-One

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Properties Simple | Detailed

Formula C14H17NO2S
IUPAC Name 4-[3-(dimethylamino)propoxy]thiochromen-2-one
Molecular Mass 263.355 g·mol−1
Heat of Formation -183.5 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 323.86 Å 3
Surface Area 292.95 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3-dimethylaminopropoxy)-2-thiochromenone
  • 4-(3-dimethylaminopropoxy)thiochromen-2-one
  • fc1
  • thiocoumarin
InChIKey DIOZFKOOIBATNZ-UHFFFAOYSA-N
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