S-Cyclohexyl (1R)-2,2-Dimethylcyclobutanecarbothioate

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Properties Simple | Detailed

Formula C13H22OS
IUPAC Name s-cyclohexyl (1r)-2,2-dimethylcyclobutanecarbothioate
Molecular Mass 226.378 g·mol−1
Heat of Formation -291.5 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 300.81 Å 3
Surface Area 265.24 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey CSKDVLQGLMCDCA-NSHDSACASA-N
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