Methane; (1E,3R)-3-Methyl-1-(1-Methylcyclobutyl)Penta-1,4-Diene-3-Thiol

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Properties Simple | Detailed

Formula C12H22S
IUPAC Name methane; (1e,3r)-3-methyl-1-(1-methylcyclobutyl)penta-1,4-diene-3-thiol
Molecular Mass 198.368 g·mol−1
Heat of Formation -9.3 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 304.08 Å 3
Surface Area 257.58 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey YAXGIOWHTQBBMB-UHFFFAOYSA-N
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Elements H C S