5-Thia-3,11-diazatricyclo[6.3.1.0^2,6]dodeca-1,3,6,8,10-pentaene
[CAS# 88414-00-0]

Identification

• Name: 5-Thia-3,11-diazatricyclo[6.3.1.0^2,6]dodeca-1,3,6,8,10-pentaene
• Synonyms: 4,8-Methanothiazolo[4,5-c]azocine
• Molecular Formula: C₉H₆N₂S
• Molecular Weight: 174.22
• CAS Registry Number: 88414-00-0
• SMILES: c1nc2=C3CC(=CC=N3)C=c2s1
• InChI: 1S/C9H6N2S/c1-2-10-7-3-6(1)4-8-9(7)11-5-12-8/h1-2,4-5H,3H2
• InChIKey: VQPMQQOEDLXUCO-UHFFFAOYSA-N

Properties

• Density: 1.505g/cm³ (Cal.)
• Boiling point: 382.974°C at 760 mmHg (Cal.)
• Flash point: 185.416°C (Cal.)