Dye xxiii
4-[4-[4-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]butane-1-sulfonic acid
Also Known As: Dye xxiii|(3-Propylrhodanine-(5))-(1-delta-triethylammonium sulfobutyl-1,4-dihydroquinoline-(4))-tetramethinemerocyanine|1(4H)-Quinolinebutanesulfonicacid, 4-[4-(4-oxo-3-propyl-2-thioxo-5-thiazolidinylidene)-2-buten-1-ylidene]-|4-[4-[4-(4-Oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]butane-1-sulfonic acid
| Molecular Formula | C23H26N2O4S3 |
|---|---|
| Molecular Weight | 490.10547 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.10547 |
| Monoisotopic Mass | 490.10547 |
| Heavy Atoms | 32 |
| Complexity | 931.0 |
Chemical Identifiers
| CAS Number | 77673-48-4 |
|---|---|
| SMILES | CCCN1C(=O)C(=CC=CC=C2C=CN(C3=CC=CC=C23)CCCCS(=O)(=O)O)SC1=S |
| InChIKey | JPYNZOOSSSFHQU-UHFFFAOYSA-N |
Product Overview
Dye xxiii (CAS 77673-48-4), with molecular formula C23H26N2O4S3 and molecular weight 490.10547 g/mol. IUPAC: 4-[4-[4-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]butane-1-sulfonic acid.
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