4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium
4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonate
Also Known As: EINECS 263-954-9|4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium|Pyridinium, 4-(phenylthio)-1-(4-sulfobutyl)-, inner salt|2-(2-methoxyethoxy)ethyl 2-phenylacetate|4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonate|Pyridinium, 4-(phenylthio)-1-(4-sulfobutyl)-, hydroxide, inner salt|4-[[4-(Phenylthio)pyridin-1-ium]-1-yl]-1-butanesulfonate|4-(PHENYLSULFANYL)-1-(4-SULFONATOBUTYL)PYRIDIN-1-IUM|4-[4-(Phenylsulfanyl)pyridin-1-ium-1-yl]butane-1-sulfonate|ethyl 4-(2-ethoxy-2-oxoacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate|263-954-9
| Molecular Formula | C15H17NO3S2 |
|---|---|
| Molecular Weight | 323.06497 g/mol |
| LogP | 2.45 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.06497 |
| Heavy Atoms | 21 |
| Complexity | 655.1 |
Chemical Identifiers
| CAS Number | 63149-06-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-] |
Product Overview
4-(Phenylthio)-1-(4-sulphonatobutyl)pyridinium (CAS 63149-06-4), with molecular formula C15H17NO3S2 and molecular weight 323.06497 g/mol. IUPAC: 4-(4-phenylsulfanylpyridin-1-ium-1-yl)butane-1-sulfonate.
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