5-Phenyl-3-Thiomorpholin-4-Yl-2,8,9-Triazabicyclo[4.3.0]Nona-2,4,6,9-Tetraen-7-Amine
[CAS# 66663-63-6]

Identification

• Name: 5-Phenyl-3-Thiomorpholin-4-Yl-2,8,9-Triazabicyclo[4.3.0]Nona-2,4,6,9-Tetraen-7-Amine
• Synonyms: 4-Phenyl-6-Thiomorpholino-2H-Pyrazolo[5,4-B]Pyridin-3-Amine; (4-Phenyl-6-Thiomorpholino-2H-Pyrazolo[5,4-B]Pyridin-3-Yl)Amine; 1H-Pyrazolo(3,4-B)Pyridin-3-Amine, 4-Phenyl-6-(4-Thiomorpholinyl)-
• Molecular Formula: C₁₆H₁₇N₅S
• Molecular Weight: 311.40
• CAS Registry Number: 66663-63-6
• SMILES: C2=C(C1=C([NH]N=C1N=C2N3CCSCC3)N)C4=CC=CC=C4
• InChI: 1S/C16H17N5S/c17-15-14-12(11-4-2-1-3-5-11)10-13(18-16(14)20-19-15)21-6-8-22-9-7-21/h1-5,10H,6-9H2,(H3,17,18,19,20)
• InChIKey: BDGXZMZUBTVABI-UHFFFAOYSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 662.3°C at 760 mmHg (Cal.)
• Flash point: 354.3°C (Cal.)