5-[1,2-Bis(3,4-Dimethoxyphenyl)Ethyl]-3H-1,3,4-Oxadiazole-2-Thione
[CAS# 78613-15-7]

Identification

• Name: 5-[1,2-Bis(3,4-Dimethoxyphenyl)Ethyl]-3H-1,3,4-Oxadiazole-2-Thione
• Synonyms: 5-(1,2-Bis(3,4-Dimethoxyphenyl)Ethyl)-1,3,4-Oxadiazole-2(3H)-Thione; 1,3,4-Oxadiazole-2(3H)-Thione, 5-(1,2-Bis(3,4-Dimethoxyphenyl)Ethyl)-
• Molecular Formula: C₂₀H₂₂N₂O₅S
• Molecular Weight: 402.46
• CAS Registry Number: 78613-15-7
• SMILES: C1=C(C(=CC=C1CC(C2=NNC(O2)=S)C3=CC=C(C(=C3)OC)OC)OC)OC
• InChI: 1S/C20H22N2O5S/c1-23-15-7-5-12(10-17(15)25-3)9-14(19-21-22-20(28)27-19)13-6-8-16(24-2)18(11-13)26-4/h5-8,10-11,14H,9H2,1-4H3,(H,22,28)
• InChIKey: BADNWWMCZDWIOR-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 502.215°C at 760 mmHg (Cal.)
• Flash point: 257.531°C (Cal.)