AC1LXFH8
2-(4-oxo-4-phenylbutyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: KS-00003S2B|SS-0668|2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile|AM-807/14957095|2-(4-oxo-4-phenylbutyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile|2-[(4-oxo-4-phenylbutyl)sulfanyl]-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
CAS: 445384-16-7
| Molecular Formula | C21H22N2OS |
|---|---|
| Molecular Weight | 350.1453 g/mol |
| LogP | 4.97738 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1453 |
| Monoisotopic Mass | 350.1453 |
| Heavy Atoms | 25 |
| Complexity | 780.4733 |
Chemical Identifiers
| CAS Number | 445384-16-7 |
|---|---|
| SMILES | C1CCC2=CC(=C(N=C2CC1)SCCCC(=O)C3=CC=CC=C3)C#N |
Product Overview
AC1LXFH8 (CAS 445384-16-7), with molecular formula C21H22N2OS and molecular weight 350.1453 g/mol. IUPAC: 2-(4-oxo-4-phenylbutyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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