Pentanethiol

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Properties Simple | Detailed

Formula C5H12S
IUPAC Name pentane-1-thiol
Molecular Mass 104.214 g·mol−1
Heat of Formation -108.0 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 152.48 Å 3
Surface Area 161.74 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-pentanethiol
  • 2-methylbutyl mercaptan
  • amyl hydrosulfide
  • amyl mercaptan
  • amyl mercaptans
  • amyl sulfhydrate
  • amyl thioalcohol
  • caswell no. 642a
  • epa pesticide chemical code 100701
  • mercaptan c5
  • n-amyl mercaptan
  • n-pentylmercaptan
  • n-thioamyl alcohol
  • pentalarm
  • pentyl mercaptan
  • pentylmercaptan
  • thioamyl alcohol
CAS Number(s)
  • 110-66-7
InChIKey ZRKMQKLGEQPLNS-UHFFFAOYSA-N
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Elements H C S