S-(1,1-Dimethylbutyl) (1R,2R)-2-Methylcyclobutanecarbothioate

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-(1,1-dimethylbutyl) (1r,2r)-2-methylcyclobutanecarbothioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -311.3 ± 16.7 kJ·mol−1
Dipole Moment 0.59 ± 1.08 D
Volume 293.66 Å 3
Surface Area 266.06 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
InChIKey JBLCXSOCNWCMCV-NXEZZACHSA-N
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Elements H C S O