benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
benzyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: Oprea1_121557|Oprea1_427843|BAS 01107786|SR-01000423373-1|A0369/0017018|benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate|benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]acetate|benzyl 2-((3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate|(3-Cyano-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-acetic acid benzyl ester|BENZYL 2-({3-CYANO-5H,6H,7H-CYCLOPENTA[B]PYRIDIN-2-YL}SULFANYL)ACETATE|benzyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09326 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.09326 |
| Monoisotopic Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 313379-75-8 |
|---|---|
| SMILES | C1CC2=CC(=C(N=C2C1)SCC(=O)OCC3=CC=CC=C3)C#N |
| InChIKey | QNCOWJHMJSJMFJ-UHFFFAOYSA-N |
Product Overview
benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate (CAS 313379-75-8), with molecular formula C18H16N2O2S and molecular weight 324.09326 g/mol. IUPAC: benzyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate.
benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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