S-[(1R)-1-Methylbutyl] 5-Methylhexanethioate

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Properties Simple | Detailed

Formula C12H24OS
IUPAC Name s-[(1r)-1-methylbutyl] 5-methylhexanethioate
Molecular Mass 216.383 g·mol−1
Heat of Formation -404.5 ± 16.7 kJ·mol−1
Dipole Moment 0.84 ± 1.08 D
Volume 306.52 Å 3
Surface Area 290.77 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey RTYRCOFEZWWHTO-LLVKDONJSA-N
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