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

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Properties Simple | Detailed

Formula C27H27N3O5S
IUPAC Name 1-(6-aminohexyl)-3-(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)thiourea
Molecular Mass 505.585 g·mol−1
Heat of Formation -513.8 ± 16.7 kJ·mol−1
Dipole Moment 10.23 ± 1.08 D
Volume 587.83 Å 3
Surface Area 494.18 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-keto-spiro[isobenzofuran-3,9'-xanthene]-5-yl)thiourea
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]yl)thiourea
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxo-spiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)thiourea
  • 3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
  • 4-(n-6-aminohexylthioureal)fluorescein
  • 4-n-6-ahtuf
  • thiourea, n-(6-aminohexyl)-n'-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthen)-6-yl)-
CAS Number(s)
  • 77228-88-7
InChIKey YLQURFUIUHWJCJ-UHFFFAOYSA-N
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