Tert-Butyl Cyclohexyl Sulfide

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Properties Simple | Detailed

Formula C10H20S
IUPAC Name tert-butylsulfanylcyclohexane
Molecular Mass 172.331 g·mol−1
Heat of Formation -191.1 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 244.72 Å 3
Surface Area 218.99 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (tert-butylsulfanyl)cyclohexane
  • (tert-butylthio)cyclohexane
  • sulfide, tert-butyl cyclohexyl
CAS Number(s)
  • 7133-23-5
InChIKey ZNPQTUSPUQIGNA-UHFFFAOYSA-N
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Elements H C S