(2E,4E)-2-(1,3-Benzothiazol-2-Yl)-5-[4-(Dimethylamino)Phenyl]-2,4-Pentadienenitrile
[CAS# 40442-42-0]

Identification

• Name: (2E,4E)-2-(1,3-Benzothiazol-2-Yl)-5-[4-(Dimethylamino)Phenyl]-2,4-Pentadienenitrile
• Synonyms: (2E,4E)-2-(1,3-benzothiazol-2-yl)-5-[4-(dimethylamino)phenyl]penta-2,4-dienenitrile; 2-Benzothiazoleacetonitrile, a-[3-[4-(dimethylamino)phenyl]-2-propenylidene]- (9CI)
• Molecular Formula: C₂₀H₁₇N₃S
• Molecular Weight: 331.43
• CAS Registry Number: 40442-42-0
• SMILES: CN(C)c1ccc(cc1)C=CC=C(C#N)c2nc3ccccc3s2
• InChI: 1S/C20H17N3S/c1-23(2)17-12-10-15(11-13-17)6-5-7-16(14-21)20-22-18-8-3-4-9-19(18)24-20/h3-13H,1-2H3/b6-5+,16-7+
• InChIKey: QTBLSLSGZBLXPO-OWRQJNCQSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 548.87°C at 760 mmHg (Cal.)
• Flash point: 285.747°C (Cal.)