cis-(+-)-3b,4,9,9a,11,12-Hexahydro-5H-Pyrrolo[1,2-a]Thieno[3',2':3,4]Pyrido[1,2-c]Pyrimidin-7(8H)-One
[CAS# 95846-66-5]

Identification

• Name: cis-(+-)-3b,4,9,9a,11,12-Hexahydro-5H-Pyrrolo[1,2-a]Thieno[3',2':3,4]Pyrido[1,2-c]Pyrimidin-7(8H)-One
• Synonyms: 8,13-Diaza-3-Thia-A-Norgona-1,5(10)-Dien-17-One; 8,13-Dtndo
• Molecular Formula: C₁₃H₁₆N₂OS
• Molecular Weight: 248.34
• CAS Registry Number: 95846-66-5
• SMILES: [C@@H]12C4=C(CCN1[C@H]3N(CC2)C(CC3)=O)SC=C4
• InChI: 1S/C13H16N2OS/c16-13-2-1-12-14-7-4-11-9(5-8-17-11)10(14)3-6-15(12)13/h5,8,10,12H,1-4,6-7H2/t10-,12+/m1/s1
• InChIKey: IKPRBUPWHWVZKI-PWSUYJOCSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 427.215°C at 760 mmHg (Cal.)
• Flash point: 212.172°C (Cal.)