S-(2-Methyl-2-Propanyl) Pentanethioate

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Properties Simple | Detailed

Formula C9H18OS
IUPAC Name s-tert-butyl pentanethioate
Molecular Mass 174.304 g·mol−1
Heat of Formation -351.4 ± 16.7 kJ·mol−1
Dipole Moment 0.52 ± 1.08 D
Volume 240.22 Å 3
Surface Area 229.7 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry Cs
InChIKey KCMQWYWIEXLFQT-UHFFFAOYSA-N
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Elements H C S O