1-(3,3-Dimethylcyclobutyl)-4-Methyl-Pentane-1-Thione

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Properties Simple | Detailed

Formula C12H22S
IUPAC Name 1-(3,3-dimethylcyclobutyl)-4-methyl-pentane-1-thione
Molecular Mass 198.368 g·mol−1
Heat of Formation -57.3 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 287.93 Å 3
Surface Area 260.75 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey UFVDAZIDRQVFPM-UHFFFAOYSA-N
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Elements H C S