2-Thiahexane

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Properties Simple | Detailed

Formula C5H12S
IUPAC Name 1-methylsulfanylbutane
Molecular Mass 104.214 g·mol−1
Heat of Formation -95.7 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 152.44 Å 3
Surface Area 161.87 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 3.28 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(methylthio)butane
  • butane, 1-(methylthio)-
  • butyl methyl sulphide
  • methyl butyl sulphide
  • sulfide, butyl methyl
CAS Number(s)
  • 628-29-5
InChIKey WCXXISMIJBRDQK-UHFFFAOYSA-N
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Elements H C S