Prenylthiol

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Properties Simple | Detailed

Formula C5H10S
IUPAC Name 3-methylbut-2-ene-1-thiol
Molecular Mass 102.198 g·mol−1
Heat of Formation -30.7 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 144.34 Å 3
Surface Area 151.1 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butene-1-thiol, 3-methyl-
  • 3-methyl-2-buten-1-thiol
  • 3-methyl-2-butene-1-thiol
  • prenyl mercaptan
CAS Number(s)
  • 5287-45-6
InChIKey GYDPOKGOQFTYGW-UHFFFAOYSA-N
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DOI
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Elements H S C