AC1MGRNT
methyl 3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: Oprea1_454167|AS-871/41346189|methyl 1,6-dimethyl-4-(4-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|F0497-0183|methyl 3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate|methyl 1,6-dimethyl-4-(4-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate|methyl 4-{4-nitrophenyl}-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C14H15N3O4S |
|---|---|
| Molecular Weight | 321.07834 g/mol |
| LogP | 1.9028 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.07834 |
| Monoisotopic Mass | 321.07834 |
| Heavy Atoms | 22 |
| Complexity | 669.1705 |
Chemical Identifiers
| CAS Number | 391896-99-4 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
AC1MGRNT (CAS 391896-99-4), with molecular formula C14H15N3O4S and molecular weight 321.07834 g/mol. IUPAC: methyl 3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate.
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