3-Thia-5,10-Diazatetracyclo[5.5.2.0^2,6.0^8,12]Tetradeca-1,5,7,9,11-Pentaene
[CAS 192445-56-0]

Identification

• Name: 3-Thia-5,10-Diazatetracyclo[5.5.2.0^2,6.0^8,12]Tetradeca-1,5,7,9,11-Pentaene
• Synonyms: 2H-4,8-ethanothiazolo[4,5-f]isoindole; 4,8-ETHANO-2H-PYRROLO[3,4-F]BENZOTHIAZOLE(9CI)
• Molecular Formula: C₁₁H₈N₂S
• Molecular Weight: 200.26
• CAS Registry Number: 192445-56-0
• SMILES: C1Cc2c3c(=CN=C3)c1c4c2=NCS4
• InChI: 1S/C11H8N2S/c1-2-7-9-4-12-3-8(9)6(1)10-11(7)14-5-13-10/h3-4H,1-2,5H2
• InChIKey: RQFVHSWIBXATRE-UHFFFAOYSA-N

Properties

• Density: 1.676g/cm³ (Cal.)
• Boiling point: 425.989°C at 760 mmHg (Cal.)
• Flash point: 211.431°C (Cal.)
• Refractive index: 1.932 (Cal.)