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

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-isohexyl (1r,2r)-2-methylcyclobutanecarbothioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -296.9 ± 16.7 kJ·mol−1
Dipole Moment 0.83 ± 1.08 D
Volume 296.18 Å 3
Surface Area 280.43 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey VEIZCVQOPXPNFU-GHMZBOCLSA-N
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