S-Isohexyl (1R,2S)-2-Methylcyclobutanecarbothioate

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-isohexyl (1r,2s)-2-methylcyclobutanecarbothioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -293.5 ± 16.7 kJ·mol−1
Dipole Moment 0.78 ± 1.08 D
Volume 296.46 Å 3
Surface Area 275.65 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey VEIZCVQOPXPNFU-WDEREUQCSA-N
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