1-(3',6'-Dihydroxy-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-5-Yl)-3-[6-({2-[(2-Nitrophenyl)Amino]Ethyl}Disulfanyl)-3-Pyridinyl]Thiourea

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Properties Simple | Detailed

Formula C34H25N5O7S3
IUPAC Name 1-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]-3-pyridyl]thiourea
Molecular Mass 711.787 g·mol−1
Heat of Formation -174.0 ± 16.7 kJ·mol−1
Dipole Moment 9.55 ± 1.08 D
Volume 789.76 Å 3
Surface Area 604.84 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2-nitroaniline-n-ethyldithio)-2-(pyridyl-5-thioureido-n'-(5-fluorescein))
  • 1-(3',6'-dihydroxy-3-keto-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-[(2-nitrophenyl)amino]ethyldisulfanyl]-3-pyridyl]thiourea
  • 1-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)-3-[6-[2-[(2-nitrophenyl)amino]ethyldisulfanyl]-3-pyridyl]thiourea
  • 1-(3',6'-dihydroxy-3-oxo-spiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-[(2-nitrophenyl)amino]ethyldisulfanyl]pyridin-3-yl]thiourea
  • 1-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-[(2-nitrophenyl)amino]ethyldisulfanyl]-3-pyridyl]thiourea
  • 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-[(2-nitrophenyl)amino]ethyldisulfanyl]pyridin-3-yl]thiourea
  • farssalc
  • n-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthen)-5-yl)-n'-(6-((2-((2-nitrophenyl)amino)ethyl)dithio)-3-pyridinyl)thiourea
  • thiourea, n-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthen)-5-yl)-n'-(6-((2-((2-nitrophenyl)amino)ethyl)dithio)-3-pyridinyl)-
CAS Number(s)
  • 101613-93-8
InChIKey XMQFXPPYEQWBIO-UHFFFAOYSA-N
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