(6aR,9R,10aR)-7-Methyl-9-[(methylsulfanyl)methyl]-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine
[CAS# 89651-00-3]

Identification

• Name: (6aR,9R,10aR)-7-Methyl-9-[(methylsulfanyl)methyl]-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine
• Molecular Formula: C₁₆H₂₀N₂OS
• Molecular Weight: 288.41
• CAS Registry Number: 89651-00-3
• SMILES: CN1C[C@@H](O[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC
• InChI: 1S/C16H20N2OS/c1-18-8-11(9-20-2)19-16-12-4-3-5-13-15(12)10(7-17-13)6-14(16)18/h3-5,7,11,14,16-17H,6,8-9H2,1-2H3/t11-,14-,16-/m1/s1
• InChIKey: GYUHVILBXXBZDS-DJSGYFEHSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 483.8±40.0°C at 760 mmHg (Cal.)
• Flash point: 246.4±27.3°C (Cal.)