(3S,8aS)-3-Methyl-1-Thioxohexahydropyrrolo[1,2-a]Pyrazin-4(1H)-One
[CAS# 167391-76-6]

Identification

• Name: (3S,8aS)-3-Methyl-1-Thioxohexahydropyrrolo[1,2-a]Pyrazin-4(1H)-One
• Synonyms: (3S,8aS)-3-methyl-1-thioxohexahydropyrrolo[1,2-a]pyrazin-4(1H)-one
• Molecular Formula: C₈H₁₂N₂OS
• Molecular Weight: 184.26
• CAS Registry Number: 167391-76-6
• SMILES: C[C@H]1C(=O)N2CCC[C@H]2C(=S)N1
• InChI: 1S/C8H12N2OS/c1-5-8(11)10-4-2-3-6(10)7(12)9-5/h5-6H,2-4H2,1H3,(H,9,12)/t5-,6-/m0/s1
• InChIKey: UXDLSOBDORKACU-WDSKDSINSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 336.028°C at 760 mmHg (Cal.)
• Flash point: 157.025°C (Cal.)
• Refractive index: 1.62 (Cal.)