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

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Properties Simple | Detailed

Formula C13H24OS
IUPAC Name s-isohexyl (1r)-2,2-dimethylcyclobutanecarbothioate
Molecular Mass 228.394 g·mol−1
Heat of Formation -325.4 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 319.52 Å 3
Surface Area 289.6 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey MEILBPGCCAFVHI-NSHDSACASA-N
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Elements H C S O