2'-(4-Aminophenyl)-6-Methyl-2,6'-Bi-1,3-Benzothiazole-7-Sulfonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H15N3O3S3
IUPAC Name 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Molecular Mass 453.557 g·mol−1
Heat of Formation -50.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 469.27 Å 3
Surface Area 417.84 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2,6'-bibenzothiazole)-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-
  • 2-(4-aminophenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonic acid
CAS Number(s)
  • 5855-97-0
InChIKey CTPFWVHDVOKBSN-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