(3E)-1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazono)-1-butanone
[CAS# 86319-91-7]

Identification

• Name: (3E)-1-(1,3-Benzothiazol-2-yl)-3-(phenylhydrazono)-1-butanone
• Synonyms: 1-(2-Benzothiazolyl)-1,3-butanedione 3-(phenylhydrazone); 1,3-Butanedione, 1-(2-benzothiazolyl)-, 3-(phenylhydrazone)
• Molecular Formula: C₁₇H₁₅N₃OS
• Molecular Weight: 309.39
• CAS Registry Number: 86319-91-7
• SMILES: O=C(c1nc2ccccc2s1)CC(=N\Nc3ccccc3)\C
• InChI: 1S/C17H15N3OS/c1-12(19-20-13-7-3-2-4-8-13)11-15(21)17-18-14-9-5-6-10-16(14)22-17/h2-10,20H,11H2,1H3/b19-12+
• InChIKey: FUZKQTUYCHZESE-XDHOZWIPSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 477.507°C at 760 mmHg (Cal.)
• Flash point: 242.588°C (Cal.)