7-(Diethylamino)-3-(4-Isothiocyanatophenyl)-4-Methyl-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C21H20N2O2S
IUPAC Name 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one
Molecular Mass 364.461 g·mol−1
Heat of Formation -11.6 ± 16.7 kJ·mol−1
Dipole Moment 12.08 ± 1.08 D
Volume 438.69 Å 3
Surface Area 388.6 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-
  • 7-deaicp-methylcoumarin
  • 7-diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin
  • 7-diethylamino-3-(4-isothiocyanatophenyl)-4-methyl-2-chromenone
  • 7-diethylamino-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one
  • 7-diethylamino-3-(4-isothiocyanatophenyl)-4-methyl-coumarin
  • 7-diethylamino-3-(4-isothiocyanatophenyl)-4-methylchromen-2-one
CAS Number(s)
  • 107743-39-5
InChIKey YALJZNKPECPZAS-UHFFFAOYSA-N
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