3-Thia-5,8,10-Triazatricyclo[6.2.1.0^2,6]Undeca-1,4,6,9-Tetraene
[CAS# 478919-85-6]

Identification

• Name: 3-Thia-5,8,10-Triazatricyclo[6.2.1.0^2,6]Undeca-1,4,6,9-Tetraene
• Synonyms: 5,8-methanothiazolo[4,5-e][1,3]diazepine
• Molecular Formula: C₇H₅N₃S
• Molecular Weight: 163.20
• CAS Registry Number: 478919-85-6
• SMILES: c1nc2=CN3CC(=c2s1)N=C3
• InChI: 1S/C7H5N3S/c1-5-7-6(9-4-11-7)2-10(1)3-8-5/h2-4H,1H2
• InChIKey: NSALSBZCMMZPCI-UHFFFAOYSA-N

Properties

• Density: 1.731g/cm³ (Cal.)
• Boiling point: 259.058°C at 760 mmHg (Cal.)
• Flash point: 110.475°C (Cal.)
• Refractive index: 1.934 (Cal.)