(7S,8aS)-2-Methyl-7-Sulfanylhexahydropyrrolo[1,2-a]Pyrazin-1(2H)-One
[CAS# 158393-27-2]

Identification

• Name: (7S,8aS)-2-Methyl-7-Sulfanylhexahydropyrrolo[1,2-a]Pyrazin-1(2H)-One
• Synonyms: (7S,8aS)-7-mercapto-2-methylhexahydropyrrolo[1,2-a]pyrazin-1(2H)-one
• Molecular Formula: C₈H₁₄N₂OS
• Molecular Weight: 186.27
• CAS Registry Number: 158393-27-2
• SMILES: CN1CCN2C[C@H](C[C@H]2C1=O)S
• InChI: 1S/C8H14N2OS/c1-9-2-3-10-5-6(12)4-7(10)8(9)11/h6-7,12H,2-5H2,1H3/t6-,7-/m0/s1
• InChIKey: ABCTXAFFGDDFOT-BQBZGAKWSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 335.784°C at 760 mmHg (Cal.)
• Flash point: 156.877°C (Cal.)
• Refractive index: 1.593 (Cal.)