1-[(1R)-2,2-Dimethylcyclobutyl]-5-Methyl-Hexane-1-Thione

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Properties Simple | Detailed

Formula C13H24S
IUPAC Name 1-[(1r)-2,2-dimethylcyclobutyl]-5-methyl-hexane-1-thione
Molecular Mass 212.395 g·mol−1
Heat of Formation -79.3 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 310.76 Å 3
Surface Area 269.38 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey RSPZXQHVYXHWCC-NSHDSACASA-N
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Elements H C S