1,3-Propanedithiol

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Properties Simple | Detailed

Formula C3H8S2
IUPAC Name propane-1,3-dithiol
Molecular Mass 108.226 g·mol−1
Heat of Formation -35.2 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 139.12 Å 3
Surface Area 147.6 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimercaptopropane
  • 1,3-propanedimercaptan
  • dithiotrimethyleneglycol
  • ndr-132
  • trimethylene dimercaptan
  • trimethylenedithioglycol
  • trimethylenedithiol
CAS Number(s)
  • 109-80-8
InChIKey ZJLMKPKYJBQJNH-UHFFFAOYSA-N
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Elements H S C