2,5,5-Trimethylhexane-3-Thione

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Formula C9H18S
IUPAC Name 2,5,5-trimethylhexane-3-thione
Molecular Mass 158.304 g·mol−1
Heat of Formation -71.2 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 229.81 Å 3
Surface Area 207.68 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey PJAAGNARJRCUFJ-UHFFFAOYSA-N
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Elements H C S