1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride structure
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Common Name | 1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride | ||
|---|---|---|---|---|
| CAS Number | 77148-91-5 | Molecular Weight | 296.77300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H13ClN2O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 1-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridin-1-ium,chloride |
|---|
| Molecular Formula | C13H13ClN2O2S |
|---|---|
| Molecular Weight | 296.77300 |
| Exact Mass | 296.03900 |
| PSA | 75.00000 |
| LogP | 0.23880 |
| InChIKey | KNHOOTZWPPNXCI-UHFFFAOYSA-M |
| SMILES | C[n+]1ccccc1SCc1cccc([N+](=O)[O-])c1.[Cl-] |
|
~37%
1-methyl-2-[(3-... CAS#:77148-91-5 |
| Literature: Beattie; Crossley; Dickinson; Dover European Journal of Medicinal Chemistry, 1983 , vol. 18, # 3 p. 277 - 285 |
| Precursor 2 | |
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| DownStream 0 | |