1-(6-Isothiocyanatobicyclo[2.2.1]Hept-2-Yl)Ethanone

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Properties Simple | Detailed

Formula C10H13NOS
IUPAC Name 1-[(1r,2s,4s,6s)-6-isothiocyanatonorbornan-2-yl]ethanone
Molecular Mass 195.281 g·mol−1
Heat of Formation -47.9 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 239.45 Å 3
Surface Area 220.99 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(6-isothiocyanatobicyclo(2.2.1)hept-2-yl)ethanone (2-endo,6-exo)-(+-)-
  • 1-[(1r,2s,4s,6s)-2-isothiocyanato-6-bicyclo[2.2.1]heptanyl]ethanone
  • 1-[(1r,2s,4s,6s)-6-isothiocyanato-2-norbornanyl]ethanone
  • 1-[(1r,2s,4s,6s)-6-isothiocyanatonorbornan-2-yl]ethanone
  • 2-acetyl-6-isothiocyanate norbornane
  • 2-acetyl-6-isothiocyanatonorbornane
  • 2-aicnb
CAS Number(s)
  • 153495-76-2
InChIKey AYUSDYWETCHGNN-KYXWUPHJSA-N
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