AC1OIKYV
(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-methyl-3-nitrobenzoate
Also Known As: SR-01000021158-1|F2527-0074|(6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 4-methyl-3-nitrobenzoate|(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-methyl-3-nitrobenzoate|[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 4-methyl-3-nitrobenzoate
CAS: 877643-13-5
| Molecular Formula | C14H14N4O5S |
|---|---|
| Molecular Weight | 350.06848 g/mol |
| LogP | 1.69974 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.06848 |
| Monoisotopic Mass | 350.06848 |
| Heavy Atoms | 24 |
| Complexity | 864.7287 |
Chemical Identifiers
| CAS Number | 877643-13-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C(=NN=C2SC)C)[N+](=O)[O-] |
Product Overview
AC1OIKYV (CAS 877643-13-5), with molecular formula C14H14N4O5S and molecular weight 350.06848 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-methyl-3-nitrobenzoate.
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.
View MSDS →
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