S-[(1R)-2,2-Dimethylcyclobutyl] 4-Methylpentanethioate

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-[(1r)-2,2-dimethylcyclobutyl] 4-methylpentanethioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -308.1 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 295.65 Å 3
Surface Area 273.43 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
InChIKey MLZQWIBRJRCZQK-SNVBAGLBSA-N
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Elements H C S O