(1S,2S,9R,10R)-8-Oxa-4-Thia-7-Azatetracyclo[8.2.1.0^2,6.0^2,9]Trideca-6,11-Diene
[CAS# 326604-80-2]

Identification

• Name: (1S,2S,9R,10R)-8-Oxa-4-Thia-7-Azatetracyclo[8.2.1.0^2,6.0^2,9]Trideca-6,11-Diene
• Synonyms: (5aR,6R,9S,9aS)-3,5a,6,9-tetrahydro-1H-6,9-methanobenzo[d]thieno[3,4-c]isoxazole
• Molecular Formula: C₁₀H₁₁NOS
• Molecular Weight: 193.27
• CAS Registry Number: 326604-80-2
• SMILES: O3\N=C1\CSC[C@@]14[C@@H]2\C=C/[C@@H](C2)[C@@H]34
• InChI: 1S/C10H11NOS/c1-2-7-3-6(1)9-10(7)5-13-4-8(10)11-12-9/h1-2,6-7,9H,3-5H2/t6-,7+,9+,10+/m0/s1
• InChIKey: FCUCEULRTYECBT-MVHNUAHISA-N

Properties

• Density: 1.749g/cm³ (Cal.)
• Boiling point: 332.375°C at 760 mmHg (Cal.)
• Flash point: 154.815°C (Cal.)
• Refractive index: 1.895 (Cal.)