5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(methylsulfonyl)benzyl]oxy}-2-thiophenecarbonitrile
[CAS# 862812-98-4]

Identification

• Name: 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(methylsulfonyl)benzyl]oxy}-2-thiophenecarbonitrile
• Synonyms: "5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarbonitrile"; 3-(2-(methylsulfonyl)benzyloxy)-5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)thiophene-2-carbonitrile; 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarbonitrile
• Molecular Formula: C₂₂H₁₉N₃O₅S₂
• Molecular Weight: 469.53
• CAS Registry Number: 862812-98-4
• SMILES: COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=CC=C4S(=O)(=O)C)OC
• InChI: 1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3
• InChIKey: LDTAHRLHGHFHKP-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 744.4±70.0°C at 760 mmHg (Cal.)
• Flash point: 404.0±35.7°C (Cal.)
• Refractive index: 1.658 (Cal.)