Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide
4-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidine
Also Known As: 4-((3-Pyridinylmethyl)thio)pyrimidine N-oxide|4-(N-Oxidopyridyl-3-methyl)thiopyrimidine|2-(Pyridyl-3-methylthio)pyrimidine hydrochloride|Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide|4-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidine
CAS: 71208-64-5
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.04663 g/mol |
| LogP | 1.4023 |
| Topological Polar Surface Area | 52.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.04663 |
| Monoisotopic Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 435.69244 |
Chemical Identifiers
| CAS Number | 71208-64-5 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])CSC2=NC=NC=C2 |
Product Overview
Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide (CAS 71208-64-5), with molecular formula C10H9N3OS and molecular weight 219.04663 g/mol. IUPAC: 4-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidine.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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