Tert-Butanethiol

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Properties Simple | Detailed

Formula C4H10S
IUPAC Name 2-methylpropane-1-thiol
Molecular Mass 90.187 g·mol−1
Heat of Formation -88.3 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 130.56 Å 3
Surface Area 137.36 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanethiol, 2-methyl-
  • 2-methyl-1-propanethiol
  • isobutyl mercaptan
CAS Number(s)
  • 513-44-0
InChIKey BDFAOUQQXJIZDG-UHFFFAOYSA-N
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DOI
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Elements H C S