3-(Ethyl{4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile
[CAS# 88650-97-9]

Identification

• Name: 3-(Ethyl{4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile
• Synonyms: 3-[ethyl[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile
• Molecular Formula: C₁₈H₁₆N₆O₂S
• Molecular Weight: 380.42
• CAS Registry Number: 88650-97-9
• SMILES: [O-][N+](=O)c2ccc3nc(/N=N/c1ccc(N(CC)CCC#N)cc1)sc3c2
• InChI: 1S/C18H16N6O2S/c1-2-23(11-3-10-19)14-6-4-13(5-7-14)21-22-18-20-16-9-8-15(24(25)26)12-17(16)27-18/h4-9,12H,2-3,11H2,1H3/b22-21+
• InChIKey: PWUVCFDFTBWAFJ-QURGRASLSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 616.169°C at 760 mmHg (Cal.)
• Flash point: 326.447°C (Cal.)