3-Oxa-7-Thia-2,8-Diazatricyclo[6.2.1.0^4,10]Undeca-1,4(10),5-Triene
[CAS 441351-91-3]

Identification

• Name: 3-Oxa-7-Thia-2,8-Diazatricyclo[6.2.1.0^4,10]Undeca-1,4(10),5-Triene
• Synonyms: 4H-3,5-methanoisoxazolo[4,5-d][1,2]thiazepine
• Molecular Formula: C₇H₆N₂OS
• Molecular Weight: 166.20
• CAS Registry Number: 441351-91-3
• SMILES: C1c2c3noc2C=CSN1C3
• InChI: 1S/C7H6N2OS/c1-2-11-9-3-5-6(4-9)8-10-7(1)5/h1-2H,3-4H2
• InChIKey: XQOWSTNKSAMIEC-UHFFFAOYSA-N

Properties

• Density: 1.563g/cm³ (Cal.)
• Boiling point: 369.131°C at 760 mmHg (Cal.)
• Flash point: 177.044°C (Cal.)
• Refractive index: 1.748 (Cal.)