Cyclohexyl Isothiocyanate

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Properties Simple | Detailed

Formula C7H11NS
IUPAC Name isothiocyanatocyclohexane
Molecular Mass 141.234 g·mol−1
Heat of Formation 48.3 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 180.97 Å 3
Surface Area 179.0 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry Cs
Synonyms
  • cyclohexane, isothiocyanato-
  • cyclohexyl isothiocyanate, isothiocyanato-
  • cyclohexyl-isothiocyanat
  • isothiocyanic acid, cyclohexyl ester
  • isothiocyanocyclohexane
  • zero/008328
CAS Number(s)
  • 1122-82-3
InChIKey MZSJGCPBOVTKHR-UHFFFAOYSA-N
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Elements H C S N