2-[4-(Dimethylamino)Phenyl]-3,6-Dimethyl-1,3-Benzothiazol-3-Ium

Molecule SVG Image

Properties Simple | Detailed

Formula C17H19N2S+
IUPAC Name 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-n,n-dimethyl-aniline
Molecular Mass 283.411 g·mol−1
Heat of Formation 3172.1 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 304.04 Å 3
Surface Area 280.76 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -3.15 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-n,n-dimethyl-aniline
  • 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-n,n-dimethylaniline
  • 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-n,n-dimethylaniline chloride
  • [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-dimethyl-amine
  • bb_sc-0292
  • ncgc00165339-01
  • tfl
  • zinc03861628
InChIKey FXEKRIDRIFBJOR-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements S C N