AC1MQSS4
2-oxo-4-phenacylsulfanyl-3-azaspiro[5.5]undec-4-ene-1,5-dicarbonitrile
Also Known As: Oprea1_285272|8-oxo-10-phenacylsulfanyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile|4-oxo-2-((2-oxo-2-phenylethyl)thio)-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile|4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile|4-hydroxy-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-azaspiro[5.5]undeca-1,3-diene-1,5-dicarbonitrile
CAS: 369608-87-7
| Molecular Formula | C20H19N3O2S |
|---|---|
| Molecular Weight | 365.1198 g/mol |
| LogP | 3.55776 |
| Topological Polar Surface Area | 93.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.1198 |
| Monoisotopic Mass | 365.1198 |
| Heavy Atoms | 26 |
| Complexity | 826.85254 |
Chemical Identifiers
| CAS Number | 369608-87-7 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC=CC=C3)C#N |
Product Overview
AC1MQSS4 (CAS 369608-87-7), with molecular formula C20H19N3O2S and molecular weight 365.1198 g/mol. IUPAC: 2-oxo-4-phenacylsulfanyl-3-azaspiro[5.5]undec-4-ene-1,5-dicarbonitrile.
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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