M-Thiocresol

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Properties Simple | Detailed

Formula C7H8S
IUPAC Name 3-methylbenzenethiol
Molecular Mass 124.203 g·mol−1
Heat of Formation 54.9 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 158.79 Å 3
Surface Area 162.57 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-methylthiophenol
  • 3-thiocresol
  • benzenethiol, 3-methyl-
  • m-mercaptotoluene
  • m-methylbenzenethiol
  • m-methylthiophenol
  • m-toluenethiol
  • m-tolylmercaptan
  • toluene, 3-mercapto-
  • toluene-3-thiol
  • usaf ek-2680
CAS Number(s)
  • 108-40-7
InChIKey WRXOZRLZDJAYDR-UHFFFAOYSA-N
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Elements H C S