3,3'-(4,4'-Bipyridinium-1,1'-Diyl)Dipropane-1-Sulfonate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H20N2O6S2
IUPAC Name 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate
Molecular Mass 400.470 g·mol−1
Heat of Formation -618.7 ± 16.7 kJ·mol−1
Dipole Moment 14.93 ± 1.08 D
Volume 428.8 Å 3
Surface Area 372.54 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C2
Synonyms
  • 1,1'-bis(3-sulfopropyl)-4,4'-bipyridinium dihydroxide, bis (inner salt)
  • 3-[4-[1-(3-sulfonatopropyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]propane-1-sulfonate
  • 4,4'-bipyridinium, 1,1'-bis(3-sulfopropyl)-, dihydroxide, bis (inner salt)
  • pvs-4,4'
CAS Number(s)
  • 77951-49-6
InChIKey AHTBJQLOYQLXMD-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 O N