AC1MEXCA
tert-butyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Oprea1_380543|BAS 03374088|tert-butyl 4-(4-(dimethylamino)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|tert-butyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate|tert-butyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate|tert-butyl 6-[4-(dimethylamino)phenyl]-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C18H25N3O2S |
|---|---|
| Molecular Weight | 347.16675 g/mol |
| LogP | 2.8871 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.16675 |
| Monoisotopic Mass | 347.16675 |
| Heavy Atoms | 24 |
| Complexity | 672.49945 |
Chemical Identifiers
| CAS Number | 354792-56-6 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N(C)C)C(=O)OC(C)(C)C |
Product Overview
AC1MEXCA (CAS 354792-56-6), with molecular formula C18H25N3O2S and molecular weight 347.16675 g/mol. IUPAC: tert-butyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.