Isothiocyanic Acid

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Properties Simple | Detailed

Formula CHNS
IUPAC Name isothiocyanic acid
Molecular Mass 59.090 g·mol−1
Heat of Formation 133.7 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 68.84 Å 3
Surface Area 86.73 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C*v
Synonyms
  • [c(nh)s]
  • azanediidosulfidocarbon
  • hncs
  • hydrogen isothiocyanate
  • imidosulfidocarbon
  • isothiocyanic acid [forbidden]
  • isothiocyansaeure
  • isothiozyansaeure
CAS Number(s)
  • 3129-90-6
InChIKey GRHBQAYDJPGGLF-UHFFFAOYSA-N
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