3-Thia-8,10-Diazatricyclo[6.2.1.0^2,6]Undeca-1,4,6,9-Tetraene
[CAS# 478919-92-5]

Identification

• Name: 3-Thia-8,10-Diazatricyclo[6.2.1.0^2,6]Undeca-1,4,6,9-Tetraene
• Synonyms: 5,8-methanothieno[2,3-e][1,3]diazepine
• Molecular Formula: C₈H₆N₂S
• Molecular Weight: 162.21
• CAS Registry Number: 478919-92-5
• SMILES: c1csc2=C3CN(C=c21)C=N3
• InChI: 1S/C8H6N2S/c1-2-11-8-6(1)3-10-4-7(8)9-5-10/h1-3,5H,4H2
• InChIKey: KTWHPHGABGJDHO-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.)