5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate
5-formyl-4-isoquinolin-2-ium-2-yl-1,3-thiazol-2-olate
Also Known As: 5-formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate|5-formyl-4-(2-isoquinoliniumyl)-1,3-thiazol-2-olate|5-formyl-4-(isoquinolin-2-ium-2-yl)thiazol-2-olate|5-formyl-4-isoquinolin-2-ium-2-yl-1,3-thiazol-2-olate|5-Formyl-4-(isoquinolin-2-ium-2-yl)-1,3-thiazol-2-olate|(4-isoquinolin-2-yl-2-oxo-1,3-thiazol-5-ylidene)methanolate|(4-isoquinolin-2-ium-2-yl-2-oxo-1,3-thiazol-5-ylidene)methanolate|(E)-(4-isoquinolin-2-ium-2-yl-2-oxo-1,3-thiazol-5-ylidene)methanolate
| Molecular Formula | C13H8N2O2S |
|---|---|
| Molecular Weight | 256.03064 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.03064 |
| Monoisotopic Mass | 256.03064 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 85833-52-9 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)C3=C(SC(=N3)[O-])C=O |
| InChIKey | PUZRGTDJHDZUID-UHFFFAOYSA-N |
Product Overview
5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate (CAS 85833-52-9), with molecular formula C13H8N2O2S and molecular weight 256.03064 g/mol. IUPAC: 5-formyl-4-isoquinolin-2-ium-2-yl-1,3-thiazol-2-olate.
5-Formyl-4-(isoquinolinium-2-yl)-1,3-thiazol-2-olate is a custom synthesis product. We offer services from milligram to kilogram scale.
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