Hexanethiol

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Properties Simple | Detailed

Formula C6H14S
IUPAC Name hexane-1-thiol
Molecular Mass 118.240 g·mol−1
Heat of Formation -129.4 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 175.63 Å 3
Surface Area 181.95 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-hexanethiol
  • 1-hexylthiol
  • 1-mercaptohexane
  • hexyl mercaptan
  • hexylthiol
  • mercaptan c6
  • n-hexyl mercaptan
  • n-hexylmercaptan
  • usaf ek-4628
CAS Number(s)
  • 111-31-9
InChIKey PMBXCGGQNSVESQ-UHFFFAOYSA-N
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DOI
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Elements H C S