3',6'-Dihydroxy-5-Isothiocyanato-4',5'-Dimethyl-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

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Properties Simple | Detailed

Formula C23H15NO5S
IUPAC Name 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethyl-spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 417.434 g·mol−1
Heat of Formation -408.6 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 454.91 Å 3
Surface Area 391.54 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethyl-1-spiro[isobenzofuran-3,9'-xanthene]one
  • 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethyl-spiro[2-benzofuran-3,9'-xanthene]-1-one
  • 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
  • 4',5'-dimethylfluorescein isothiocyanate
  • dmftic
  • spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 3',6'-dihydroxy-5-isothiocyanato-4',5'-dimethyl-
CAS Number(s)
  • 92457-52-8
InChIKey DXFGXFRWYRUSEO-UHFFFAOYSA-N
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