2,6,6-Trimethyl-5-Thiaheptane

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Properties Simple | Detailed

Formula C9H20S
IUPAC Name 1-tert-butylsulfanyl-3-methyl-butane
Molecular Mass 160.320 g·mol−1
Heat of Formation -204.2 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 238.73 Å 3
Surface Area 225.04 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 3.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(tert-butylthio)-3-methyl-butane
  • 1-(tert-butylthio)-3-methylbutane
  • 1-tert-butylsulfanyl-3-methylbutane
InChIKey YDYYIHNVGFTNDT-UHFFFAOYSA-N
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Elements H C S