1-Naphthyl Isothiocyanate

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Properties Simple | Detailed

Formula C11H7NS
IUPAC Name 1-isothiocyanatonaphthalene
Molecular Mass 185.245 g·mol−1
Heat of Formation 328.2 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 217.51 Å 3
Surface Area 214.8 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.-naphthyl isothiocyanate
  • .alpha.-naphthylisothiocyanate
  • .alpha.-naphthysothiocyanate
  • 1-isothiocyanate-naphthalene
  • 1-isothiocyanatenaphthalene
  • 1-naphthylisothiocyanate
  • alpha-naphthyl isothiocyanate
  • alpha-naphthysothiocyanate
  • ani
  • anit
  • isothiocyanatonaphthalene
  • isothiocyanic acid, 1-naphthyl ester
  • kesscocide
  • naphthalene, 1-isothiocyanato-
  • naphthalene, isothiocyanato-
CAS Number(s)
  • 551-06-4
  • 29962-76-3
InChIKey JBDOSUUXMYMWQH-UHFFFAOYSA-N
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