3-Thia-5,9-diazatricyclo[6.3.1.0^2,6]dodeca-1(11),2(6),4,7,9-pentaene
[CAS# 88084-55-3]

Identification

• Name: 3-Thia-5,9-diazatricyclo[6.3.1.0^2,6]dodeca-1(11),2(6),4,7,9-pentaene
• Synonyms: 5,9-methanothiazolo[4,5-d]azocine
• Molecular Formula: C₉H₆N₂S
• Molecular Weight: 174.22
• CAS Registry Number: 88084-55-3
• SMILES: c1nc2c(s1)C3=CC=NC(=C2)C3
• InChI: 1S/C9H6N2S/c1-2-10-7-3-6(1)9-8(4-7)11-5-12-9/h1-2,4-5H,3H2
• InChIKey: CGGVGOKYUNWFBX-UHFFFAOYSA-N

Properties

• Density: 1.505g/cm³ (Cal.)
• Boiling point: 403.844°C at 760 mmHg (Cal.)
• Flash point: 198.038°C (Cal.)