5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
5-ethyl-4,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
Also Known As: SR-01000423413-1|A1281/0058524|5-ethyl-4,6-dimethyl-2-((3-methylbenzyl)thio)nicotinonitrile|5-ethyl-4,6-dimethyl-2-[(3-methylbenzyl)thio]nicotinonitrile|5-ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile|5-ethyl-4,6-dimethyl-2-[(3-methylbenzyl)sulfanyl]pyridine-3-carbonitrile|5-ethyl-4,6-dimethyl-2-[(3-methylphenyl)methylthio]pyridine-3-carbonitrile|5-ethyl-4,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
| Molecular Formula | C18H20N2S |
|---|---|
| Molecular Weight | 296.1347 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.1347 |
| Monoisotopic Mass | 296.1347 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 313380-07-3 |
|---|---|
| SMILES | CCC1=C(C(=C(N=C1C)SCC2=CC=CC(=C2)C)C#N)C |
| InChIKey | PVGZAKGIFBAPSQ-UHFFFAOYSA-N |
Product Overview
5-Ethyl-4,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile (CAS 313380-07-3), with molecular formula C18H20N2S and molecular weight 296.1347 g/mol. IUPAC: 5-ethyl-4,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile.