1,3-Phenylenedimethanethiol

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Properties Simple | Detailed

Formula C8H10S2
IUPAC Name [3-(sulfanylmethyl)phenyl]methanethiol
Molecular Mass 170.295 g·mol−1
Heat of Formation 67.4 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 212.03 Å 3
Surface Area 203.01 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzenedimethanethiol
  • 3-(sulfanylmethyl)benzyl hydrosulfide
  • [3-(mercaptomethyl)phenyl]methanethiol
  • m-xylene-.alpha.,.alpha.'-dithiol
InChIKey JSNABGZJVWSNOB-UHFFFAOYSA-N
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Elements H S C