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

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Properties Simple | Detailed

Formula C11H20OS
IUPAC Name s-[(1r)-1-methylbutyl] (1r,2r)-2-methylcyclobutanecarbothioate
Molecular Mass 200.341 g·mol−1
Heat of Formation -282.9 ± 16.7 kJ·mol−1
Dipole Moment 0.80 ± 1.08 D
Volume 272.23 Å 3
Surface Area 253.75 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
InChIKey XKVPIKONRIXTQS-OPRDCNLKSA-N
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Elements H C S O