Isoamylthiol

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Properties Simple | Detailed

Formula C5H12S
IUPAC Name 3-methylbutane-1-thiol
Molecular Mass 104.214 g·mol−1
Heat of Formation -109.9 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 152.39 Å 3
Surface Area 157.2 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butanethiol, 3-methyl-
  • 3-methyl-1-butanethiol
  • 3-methylbutanethiol
  • isoamyl mercaptan
CAS Number(s)
  • 541-31-1
InChIKey GIJGXNFNUUFEGH-UHFFFAOYSA-N
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DOI
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Elements H C S