S-[(1R)-2,2-Dimethylcyclopropyl] 5-Methylhexanethioate

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-[(1r)-2,2-dimethylcyclopropyl] 5-methylhexanethioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -269.7 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 297.68 Å 3
Surface Area 282.5 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
InChIKey HOBAAEODYNZFAA-SNVBAGLBSA-N
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