Ethyl 2-(1,1-Dioxidotetrahydrothien-3-Yl)-3-Oxobutanoate
[CAS# 4905-71-9]

Identification

• Name: Ethyl 2-(1,1-Dioxidotetrahydrothien-3-Yl)-3-Oxobutanoate
• Synonyms: Ethyl (2S)-2-[(3S)-1,1-Dioxothiolan-3-Yl]-3-Oxo-Butanoate; (2S)-2-[(3S)-1,1-Dioxo-3-Thiolanyl]-3-Oxobutanoic Acid Ethyl Ester; (2S)-2-[(3S)-1,1-Diketothiolan-3-Yl]-3-Keto-Butyric Acid Ethyl Ester
• Molecular Formula: C₁₀H₁₆O₅S
• Molecular Weight: 248.29
• CAS Registry Number: 4905-71-9
• SMILES: [C@@H]1(C[S](=O)(=O)CC1)[C@@H](C(=O)C)C(OCC)=O
• InChI: 1S/C10H16O5S/c1-3-15-10(12)9(7(2)11)8-4-5-16(13,14)6-8/h8-9H,3-6H2,1-2H3/t8-,9-/m1/s1
• InChIKey: WINWJOBODCLFQL-RKDXNWHRSA-N

Properties

• Density: 1.257g/cm³ (Cal.)
• Boiling point: 414.72°C at 760 mmHg (Cal.)
• Flash point: 204.616°C (Cal.)