1-Propanethiol

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Properties Simple | Detailed

Formula C3H8S
IUPAC Name propane-1-thiol
Molecular Mass 76.161 g·mol−1
Heat of Formation -66.0 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 108.89 Å 3
Surface Area 121.54 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-mercaptopropane
  • 1-propyl mercaptan
  • 1-propylmercaptan
  • mercaptan c3
  • n-propyl mercaptan
  • n-propylmercaptan
  • n-propylthiol
  • n-thiopropyl alcohol
  • propanethiol
  • propanethiols
  • propanethiols [un2402] [flammable liquid]
  • propyl mercaptan
  • propylthiol
  • ssp
  • thiopropyl alcohol
CAS Number(s)
  • 51285-52-0
  • 107-03-9
  • 79869-58-2
InChIKey SUVIGLJNEAMWEG-UHFFFAOYSA-N
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Elements H C S