3-Oxa-8-Thia-4-Azatricyclo[5.2.2.0^2,6]Undeca-1(9),2(6),4-Triene
[CAS# 132804-44-5]

Identification

• Name: 3-Oxa-8-Thia-4-Azatricyclo[5.2.2.0^2,6]Undeca-1(9),2(6),4-Triene
• Synonyms: 5,6-dihydro-4H-4,7-(epithiometheno)benzo[d]isoxazole
• Molecular Formula: C₈H₇NOS
• Molecular Weight: 165.21
• CAS Registry Number: 132804-44-5
• SMILES: C1CC2=CSC1C3=C2ON=C3
• InChI: 1S/C8H7NOS/c1-2-7-6-3-9-10-8(6)5(1)4-11-7/h3-4,7H,1-2H2
• InChIKey: HDMCHSGNFBWZQO-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 408.5±34.0°C at 760 mmHg (Cal.)
• Flash point: 200.8±25.7°C (Cal.)
• Refractive index: 1.67 (Cal.)