1,4-Benzene Dimethanethiol

Molecule SVG Image

Properties Simple | Detailed

Formula C8H10S2
IUPAC Name [4-(sulfanylmethyl)phenyl]methanethiol
Molecular Mass 170.295 g·mol−1
Heat of Formation 63.6 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 211.48 Å 3
Surface Area 203.79 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.,.alpha.'-p-xylenedithiol
  • 1,4-benzenebis(methanethiol)
  • 1,4-benzenedimethanethiol
  • 1,4-bis(mercaptomethyl)benzene
  • [4-(mercaptomethyl)phenyl]methanethiol
  • alpha,alpha'-p-xylenedithiol
  • p-xylene-.alpha.,.alpha.'-dithiol
  • p-xylene-alpha,alpha'-dithiol
  • p-xylylenedithiol
CAS Number(s)
  • 105-09-9
InChIKey IYPNRTQAOXLCQW-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C