1-(3',6'-Dihydroxy-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-5-Yl)-3-[4-(Oxoacetyl)Phenyl]Thiourea

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Properties Simple | Detailed

Formula C29H18N2O7S
IUPAC Name 1-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-3-(4-oxaldehydoylphenyl)thiourea
Molecular Mass 538.527 g·mol−1
Heat of Formation -542.6 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 579.56 Å 3
Surface Area 490.76 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3',6'-dihydroxy-3-keto-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-3-(4-glyoxyloylphenyl)thiourea
  • 1-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)-3-(4-oxaldehydoylphenyl)thiourea
  • 1-(3',6'-dihydroxy-3-oxo-spiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-(4-oxaldehydoylphenyl)thiourea
  • fitc-pg
  • fluorescein isothiocyanate-phenylglyoxal
  • n-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthen)-5(or 6)-yl)-n"-(4-(oxoacetyl)phenyl)thiourea
  • thiourea, n-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthen)-5(or 6)-yl)-n"-(4-(oxoacetyl)phenyl)-
CAS Number(s)
  • 116843-39-1
InChIKey LDTUNFZGCNPOKL-UHFFFAOYSA-N
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