4-(N-1-Dimethylaminonaphthalene-5-Sulfonylamino)Phenyl Isothiocyanate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H17N3O2S2
IUPAC Name 5-(dimethylamino)-n-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
Molecular Mass 383.487 g·mol−1
Heat of Formation 104.7 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 439.78 Å 3
Surface Area 335.39 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 5-dimethylamino-n-(4-isothiocyanatophenyl)-1-naphthalenesulfonamide
  • 5-dimethylamino-n-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
  • dansylamino-pitc
  • dnsapitc
CAS Number(s)
  • 102417-94-7
InChIKey MZGXHCHKGRQLHR-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N