S-Isohexyl (2S)-2-Methylpentanethioate

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Properties Simple | Detailed

Formula C12H24OS
IUPAC Name s-isohexyl (2s)-2-methylpentanethioate
Molecular Mass 216.383 g·mol−1
Heat of Formation -395.4 ± 16.7 kJ·mol−1
Dipole Moment 0.76 ± 1.08 D
Volume 306.36 Å 3
Surface Area 291.52 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
InChIKey NPZXBVUIQUZING-NSHDSACASA-N
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Elements H C S O