5-Thia-8,10-Diazatricyclo[6.2.1.0^2,6]Undeca-1,3,6,9-Tetraene
[CAS# 478919-88-9]

Identification

• Name: 5-Thia-8,10-Diazatricyclo[6.2.1.0^2,6]Undeca-1,3,6,9-Tetraene
• Synonyms: 4,7-methanothieno[2,3-e][1,3]diazepine
• Molecular Formula: C₈H₆N₂S
• Molecular Weight: 162.21
• CAS Registry Number: 478919-88-9
• SMILES: c1csc2=CN3CC(=c21)N=C3
• InChI: 1S/C8H6N2S/c1-2-11-8-4-10-3-7(6(1)8)9-5-10/h1-2,4-5H,3H2
• InChIKey: IJFVUDFNMSYDBP-UHFFFAOYSA-N

Properties

• Density: 1.535g/cm³ (Cal.)
• Boiling point: 342.968°C at 760 mmHg (Cal.)
• Flash point: 161.222°C (Cal.)
• Refractive index: 1.834 (Cal.)