CBMicro_048139
ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: CBMicro_048139|Oprea1_777038|BIM-0048039.P001|ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate|ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate|Ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C14H15N3O5S |
|---|---|
| Molecular Weight | 337.07324 g/mol |
| LogP | 1.6563 |
| Topological Polar Surface Area | 113.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.07324 |
| Monoisotopic Mass | 337.07324 |
| Heavy Atoms | 23 |
| Complexity | 716.3643 |
Chemical Identifiers
| CAS Number | 5236-71-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)[N+](=O)[O-])O)C |
Product Overview
CBMicro_048139 (CAS 5236-71-5), with molecular formula C14H15N3O5S and molecular weight 337.07324 g/mol. IUPAC: ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
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