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

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Properties Simple | Detailed

Formula C13H24S
IUPAC Name 1-[(1s)-2,2-dimethylcyclobutyl]-5-methyl-hexane-1-thione
Molecular Mass 212.395 g·mol−1
Heat of Formation -78.8 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 309.35 Å 3
Surface Area 272.38 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey RSPZXQHVYXHWCC-LLVKDONJSA-N
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Elements H C S