S-[(1R)-1-Methylbutyl] (1S)-2,2-Dimethylcyclobutanecarbothioate

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-[(1r)-1-methylbutyl] (1s)-2,2-dimethylcyclobutanecarbothioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -312.3 ± 16.7 kJ·mol−1
Dipole Moment 1.20 ± 1.08 D
Volume 297.66 Å 3
Surface Area 264.41 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
InChIKey BQJPXUDNCRSETB-NXEZZACHSA-N
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Elements H C S O