3-(1,3-Benzothiazol-2-Yl)-7-(Diethylamino)-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C20H18N2O2S
IUPAC Name 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one
Molecular Mass 350.434 g·mol−1
Heat of Formation -12.3 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 399.68 Å 3
Surface Area 356.9 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 3-(2-benzothiazolyl)-7-(diethylamino)-
  • 3-(1,3-benzothiazol-2-yl)-7-diethylamino-2-chromenone
  • 3-(1,3-benzothiazol-2-yl)-7-diethylamino-chromen-2-one
  • 3-(1,3-benzothiazol-2-yl)-7-diethylamino-coumarin
  • 3-(1,3-benzothiazol-2-yl)-7-diethylaminochromen-2-one
  • 3-(2-benzothiazolyl)-7-(diethylamino)coumarin
  • 3-(2-benzothiazolyl)-n,n-diethylumbelliferylamine
  • 3-(benzothiazol-2-yl)-7-(diethylamino)-2-benzopyrone
  • chemdiv1_000289
  • chemdivam_000163
  • coumarin 6
  • oprea1_603055
CAS Number(s)
  • 54576-82-8
  • 38215-36-0
InChIKey VBVAVBCYMYWNOU-UHFFFAOYSA-N
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