(2S)-2-Isothiocyanatopentane

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Properties Simple | Detailed

Formula C6H11NS
IUPAC Name (2s)-2-isothiocyanatopentane
Molecular Mass 129.223 g·mol−1
Heat of Formation 25.0 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 172.34 Å 3
Surface Area 172.35 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey SQBOSXLLKLBNSH-LURJTMIESA-N
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Elements H C S N