Neopentyl Mercaptan

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Properties Simple | Detailed

Formula C5H12S
IUPAC Name 2,2-dimethylpropane-1-thiol
Molecular Mass 104.214 g·mol−1
Heat of Formation -111.8 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 152.39 Å 3
Surface Area 150.19 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.90 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-propanethiol, 2,2-dimethyl-
  • 2,2-dimethylpropanethiol
CAS Number(s)
  • 1679-08-9
InChIKey LSUXMVNABVPWMF-UHFFFAOYSA-N
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Elements H C S