(2R)-2-Isothiocyanatobutane

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Properties Simple | Detailed

Formula C5H9NS
IUPAC Name (2r)-2-isothiocyanatobutane
Molecular Mass 115.197 g·mol−1
Heat of Formation 46.5 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 157.58 Å 3
Surface Area 164.32 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey TUFJIDJGIQOYFY-RXMQYKEDSA-N
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Elements H C S N