Diethyl (2E,2'E)-2,2'-(1,3-Dithietane-2,4-Diylidene)Bis(Cyanoacetate)
[CAS# 22624-54-0]

Identification

• Name: Diethyl (2E,2'E)-2,2'-(1,3-Dithietane-2,4-Diylidene)Bis(Cyanoacetate)
• Synonyms: Acetic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis[2-cyano-, diethyl ester (en); Diethyl 2,2′-(1,3-dithietane-2,4-diylidene)bis(cyanoacetate); ethyl 2-cyano-2-[4-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-dithietan-2-yliden]acetate
• Molecular Formula: C₁₂H₁₀N₂O₄S₂
• Molecular Weight: 310.35
• CAS Registry Number: 22624-54-0
• SMILES: O=C(OCC)C(\C#N)=C1/S\C(S1)=C(/C#N)C(=O)OCC
• InChI: 1S/C12H10N2O4S2/c1-3-17-9(15)7(5-13)11-19-12(20-11)8(6-14)10(16)18-4-2/h3-4H2,1-2H3/b11-7-,12-8+
• InChIKey: SLORFIRBIOJAPR-NTLHZVPKSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Melting point: 159-162°C (Expl.)
• Boiling point: 405.078°C at 760 mmHg (Cal.)
• Flash point: 198.784°C (Cal.)
• Refractive index: 1.614 (Cal.)