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

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-isohexyl (1s,2s)-2-methylcyclobutanecarbothioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -296.8 ± 16.7 kJ·mol−1
Dipole Moment 0.86 ± 1.08 D
Volume 295.72 Å 3
Surface Area 280.42 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey VEIZCVQOPXPNFU-QWRGUYRKSA-N
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