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

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Properties Simple | Detailed

Formula C23H26N2O4S3
IUPAC Name 4-[(4z)-4-[(e,4z)-4-(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)but-2-enylidene]-1-quinolyl]butane-1-sulfonic acid
Molecular Mass 490.659 g·mol−1
Heat of Formation -374.6 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 569.28 Å 3
Surface Area 501.01 Å 2
HOMO Energy -8.07 ± 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
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