MLS000724804
3-(4-methylphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: 1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile|3-(4-methylphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile|AF-399/42810490|F1762-0057|6-mercapto-4-oxo-2-(thiophen-2-yl)-1-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|1-(4-methylphenyl)-4-oxo-6-sulfanyl-2-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|3-(4-methylphenyl)-6-oxo-4-sulfanyl-2-(2-thienyl)-1,2,3-trihydropyrimidine-5-c arbonitrile
| Molecular Formula | C16H13N3OS2 |
|---|---|
| Molecular Weight | 327.05002 g/mol |
| LogP | 3.3565 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.05002 |
| Monoisotopic Mass | 327.05002 |
| Heavy Atoms | 22 |
| Complexity | 772.7223 |
Chemical Identifiers
| CAS Number | 720671-85-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3 |
Product Overview
MLS000724804 (CAS 720671-85-2), with molecular formula C16H13N3OS2 and molecular weight 327.05002 g/mol. IUPAC: 3-(4-methylphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile.