Neopentyl Isothiocyanate

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Properties Simple | Detailed

Formula C6H11NS
IUPAC Name 1-isothiocyanato-2,2-dimethyl-propane
Molecular Mass 129.223 g·mol−1
Heat of Formation 25.3 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 179.72 Å 3
Surface Area 175.36 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-isothiocyanato-2,2-dimethylpropane
CAS Number(s)
  • 597-97-7
InChIKey RNMOLQDSODXHBY-UHFFFAOYSA-N
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Elements H C S N