AC1MDQ7I
4,4-dimethyl-2-oxo-6-prop-2-enylsulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile
Also Known As: IFLab1_000548|IDI1_008767|BAS 01279542|AB00080287-01|AE-848/11419475|1,2,3,4-Tetrahydro-4,4-dimethyl-2-oxo-6-(2-propen-1-ylthio)-3,5-pyridinedicarbonitrile|4,4-dimethyl-2-oxo-6-(prop-2-en-1-ylsulfanyl)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile|4,4-dimethyl-2-oxo-6-prop-2-enylsulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile|4,4-dimethyl-6-oxo-2-prop-2-enylthio-1,4,5-trihydropyridine-3,5-dicarbonitrile|6-(allylsulfanyl)-4,4-dimethyl-2-oxo-1,2,3,4-tetrahydro-3,5-pyridinedicarbonitrile|6-(allylthio)-4,4-dimethyl-2-oxo-1,2,3,4-tetrahydro-3,5-pyridinedicarbonitrile|6-allylsulfanyl-4,4-dimethyl-2-oxo-1,2,3,4-tetra-hydropyridine-3,5-dicarbonitrile|4,4-Dimethyl-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.07793 g/mol |
| LogP | 1.93656 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07793 |
| Monoisotopic Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 465.12286 |
Chemical Identifiers
| CAS Number | 201733-67-7 |
|---|---|
| SMILES | CC1(C(C(=O)NC(=C1C#N)SCC=C)C#N)C |
Product Overview
AC1MDQ7I (CAS 201733-67-7), with molecular formula C12H13N3OS and molecular weight 247.07793 g/mol. IUPAC: 4,4-dimethyl-2-oxo-6-prop-2-enylsulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile.