(7aS)-2-Phenyl-3-Thioxohexahydro-1H-Pyrrolo[1,2-c]Imidazol-1-One
[CAS# 29635-99-2]

Identification

• Name: (7aS)-2-Phenyl-3-Thioxohexahydro-1H-Pyrrolo[1,2-c]Imidazol-1-One
• Synonyms: 1H-PYRROLO(1,2-C)IMIDAZOL-1-ONE, HEXAHYDRO-2-PHENYL-3-THIOXO-, (S)-; PTH-L-proline
• Molecular Formula: C₁₂H₁₂N₂OS
• Molecular Weight: 232.30
• CAS Registry Number: 29635-99-2
• SMILES: O=C1N(C(=S)N2[C@H]1CCC2)c3ccccc3
• InChI: 1S/C12H12N2OS/c15-11-10-7-4-8-13(10)12(16)14(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2/t10-/m0/s1
• InChIKey: YNJJBMAKBUZCKN-JTQLQIEISA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 339.37°C at 760 mmHg (Cal.)
• Flash point: 159.045°C (Cal.)
• Refractive index: 1.712 (Cal.)