S-[(1R,2S)-2-Methylcyclopropyl] (2S)-2-Methylpentanethioate

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Properties Simple | Detailed

Formula C10H18OS
IUPAC Name s-[(1r,2s)-2-methylcyclopropyl] (2s)-2-methylpentanethioate
Molecular Mass 186.314 g·mol−1
Heat of Formation -214.8 ± 16.7 kJ·mol−1
Dipole Moment 1.37 ± 1.08 D
Volume 253.56 Å 3
Surface Area 244.16 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey NJIMQLNYCRDYOC-XHNCKOQMSA-N
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Elements H C S O