(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3-nitrobenzoate
(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3-nitrobenzoate
Also Known As: SR-01000021155-1|F2527-0071|[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 3-nitrobenzoate|(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3-nitrobenzoate|(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3-nitrobenzoate
| Molecular Formula | C13H12N4O5S |
|---|---|
| Molecular Weight | 336.05283 g/mol |
| LogP | 1.39132 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.05283 |
| Monoisotopic Mass | 336.05283 |
| Heavy Atoms | 23 |
| Complexity | 820.25244 |
Chemical Identifiers
| CAS Number | 877643-04-4 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])SC |
Product Overview
(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3-nitrobenzoate (CAS 877643-04-4), with molecular formula C13H12N4O5S and molecular weight 336.05283 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3-nitrobenzoate.
(6-Methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3-nitrobenzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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