2-[(1E)-N-Ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one
[CAS# 99434-58-9]

Identification

• Name: 2-[(1E)-N-Ethoxybutanimidoyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one
• Synonyms: 2-{1-[(E)-Ethoxyimino]-butyl}-3-hydroxy-5-(tetrahydro-thiopyran-3-yl)-cyclohex-2-enone; 46071_RIEDEL
• Molecular Formula: C₁₇H₂₇NO₃S
• Molecular Weight: 325.47
• CAS Registry Number: 99434-58-9
• SMILES: CCC/C(=N\OCC)/C1=C(CC(CC1=O)C2CCCSC2)O
• InChI: 1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+
• InChIKey: GGWHBJGBERXSLL-NBVRZTHBSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 455.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 229.4±31.5°C (Cal.)