Diethyl 2-Phenylsulfanylpropanedioate
[CAS# 14064-08-5]

Identification

• Name: Diethyl 2-Phenylsulfanylpropanedioate
• Synonyms: 2-(Phenylthio)Propanedioic Acid Diethyl Ester; 2-(Phenylthio)Malonic Acid Diethyl Ester; Nsc77577
• Molecular Formula: C₁₃H₁₆O₄S
• Molecular Weight: 268.33
• CAS Registry Number: 14064-08-5
• SMILES: C1=CC=CC=C1SC(C(OCC)=O)C(=O)OCC
• InChI: 1S/C13H16O4S/c1-3-16-12(14)11(13(15)17-4-2)18-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
• InChIKey: CTRLRNRJBJRETO-UHFFFAOYSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 344.192°C at 760 mmHg (Cal.)
• Flash point: 155.714°C (Cal.)