Mls002637714
4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione
Also Known As: BAS 00368458|4,4,6-trimethyl-1-(4-nitrophenyl)pyrimidine-2-thiol|4,4,6-trimethyl-1-(4-nitrophenyl)-3,4-dihydropyrimidine-2(1H)-thione|4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione|1-(4-Nitrophenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2(3H)-thione|2-Pyrimidinethiol, 1,4-dihydro-4,4,6-trimethyl-1-(p-nitro-phenyl)-|4,4,6-Trimethyl-1-(4-nitro-phenyl)-3,4-dihydro-1H-pyrimidine-2-thione|4,4,6-trimethyl-1-(4-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-2-thione|4,6,6-trimethyl-3-(4-nitrophenyl)-1,3,6-trihydropyrimidine-2-thione
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.0885 g/mol |
| LogP | 2.9717 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0885 |
| Monoisotopic Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 563.756 |
Chemical Identifiers
| CAS Number | 21038-75-5 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])(C)C |
Product Overview
Mls002637714 (CAS 21038-75-5), with molecular formula C13H15N3O2S and molecular weight 277.0885 g/mol. IUPAC: 4,6,6-trimethyl-3-(4-nitrophenyl)-1H-pyrimidine-2-thione.
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