S-Isohexyl (1R)-2,2-Dimethylcyclopropanecarbothioate

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-isohexyl (1r)-2,2-dimethylcyclopropanecarbothioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -268.6 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 300.65 Å 3
Surface Area 279.45 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
InChIKey MDNPJOHTRIBNGI-JTQLQIEISA-N
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Elements H C S O