1-Isothiocyanatopentane

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Properties Simple | Detailed

Formula C6H11NS
IUPAC Name 1-isothiocyanatopentane
Molecular Mass 129.223 g·mol−1
Heat of Formation 35.3 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 169.59 Å 3
Surface Area 174.42 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry Cs
Synonyms
  • bb_sc-1846
  • n-pentyl isothiocyanate
  • pentyl isothiocyanate
CAS Number(s)
  • 629-12-9
InChIKey SGHJUJBYMSVAJY-UHFFFAOYSA-N
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Elements H C S N