5-(Dimethylamino)-1-Naphthalenesulfonothioic O-Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C12H13NO2S2
IUPAC Name 5-hydroxysulfonothioyl-n,n-dimethyl-naphthalen-1-amine
Molecular Mass 267.367 g·mol−1
Heat of Formation -133.6 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 297.7 Å 3
Surface Area 267.14 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (5-hydroxysulfonothioyl-1-naphthyl)-dimethyl-amine
  • 5-dimethylamino-1-naphthalene thiosulfonate
  • 5-dimethylamino-1-naphthalenethiosulfonate
  • 5-hydroxysulfonothioyl-n,n-dimethyl-1-naphthalenamine
  • 5-hydroxysulfonothioyl-n,n-dimethyl-naphthalen-1-amine
  • 5-hydroxysulfonothioyl-n,n-dimethylnaphthalen-1-amine
  • dants
CAS Number(s)
  • 111076-74-5
InChIKey LJPZZGIOJRRNBP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N