3-Thia-5,11-diazatricyclo[6.3.1.0^2,6]dodeca-1(11),2(6),4,7,9-pentaene
[CAS# 88414-01-1]

Identification

• Name: 3-Thia-5,11-diazatricyclo[6.3.1.0^2,6]dodeca-1(11),2(6),4,7,9-pentaene
• Synonyms: 3-Thia-5,11-diazatricyclo[6.3.1.0^2,6]dodeca-1(11),2(6),4,7,9-pentaen; 3-Thia-5,11-diazatricyclo[6.3.1.0^2,6]dodeca-1(11),2(6),4,7,9-pentaene; 3-Thia-5,11-diazatricyclo[6.3.1.0^2,6]dodéca-1(11),2(6),4,7,9-pentaène
• Molecular Formula: C₉H₆N₂S
• Molecular Weight: 174.22
• CAS Registry Number: 88414-01-1
• SMILES: c1nc2c(s1)C3=NC=CC(=C2)C3
• InChI: 1S/C9H6N2S/c1-2-10-7-3-6(1)4-8-9(7)12-5-11-8/h1-2,4-5H,3H2
• InChIKey: RNLLSJLQFQHUEM-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 375.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 180.9±27.9°C (Cal.)