4-[(4Z)-4-[(2E,4Z)-4-(4-Oxo-3-Propyl-2-Thioxo-1,3-Thiazolidin-5-Ylidene)-2-Buten-1-Ylidene]-1(4H)-Quinolinyl]-1-Butanesulfonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C23H37N2O4S3+
IUPAC Name (5z)-3-propyl-5-[(e,4z)-4-[(1s)-1-(4-sulfobutyl)-2,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaid-4-ylidene]but-2-enylidene]-2-thioxo-thiazolidin-4-one
Molecular Mass 501.746 g·mol−1
Heat of Formation -372.6 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 568.21 Å 3
Surface Area 501.17 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3-propylrhodanine-(5))-(1-delta-triethylammonium sulfobutyl-1,4-dihydroquinoline-(4))-tetramethinemerocyanine
  • 1(4h)-quinolinebutanesulfonic acid, 4-(4-(4-oxo-3-propyl-2-thioxo-5-thiazolidinylidene)-2-butenylidene)-
  • 4-[(4z)-4-[(e,4z)-4-(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)but-2-enylidene]-1-quinolyl]butane-1-sulfonic acid
  • 4-[(4z)-4-[(e,4z)-4-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]butane-1-sulfonic acid
  • 4-[(4z)-4-[(e,4z)-4-(4-oxo-3-propyl-2-thioxo-5-thiazolidinylidene)but-2-enylidene]-1-quinolyl]butane-1-sulfonic acid
  • 4-[(4z)-4-[(e,4z)-4-(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)but-2-enylidene]-1-quinolyl]butane-1-sulfonic acid
  • dye xxiii
CAS Number(s)
  • 77673-48-4
InChIKey JPYNZOOSSSFHQU-MRLUILNMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N