2-Isothiocyanato-2-Methylbutane

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Properties Simple | Detailed

Formula C6H11NS
IUPAC Name 2-isothiocyanato-2-methyl-butane
Molecular Mass 129.223 g·mol−1
Heat of Formation 20.4 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 177.53 Å 3
Surface Area 175.67 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry Cs
InChIKey PUKGVWIYLYUQBU-UHFFFAOYSA-N
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Elements H C S N