2-Phenyl-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
[CAS# 4333-21-5]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Proline derivatives
• Name: 2-Phenyl-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
• Synonyms: 2-Phenyl-3-Thioxo-5,6,7,7A-Tetrahydropyrrolo[2,1-E]Imidazol-1-One; Eu-0074408
• Molecular Formula: C₁₂H₁₂N₂OS
• Molecular Weight: 232.30
• CAS Registry Number: 4333-21-5
• EINECS: 224-374-1
• SMILES: C1=CC=CC=C1N3C(C2CCCN2C3=S)=O
• 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
• InChIKey: YNJJBMAKBUZCKN-UHFFFAOYSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Melting point: 179°C (Expl.)
• Boiling point: 339.37°C at 760 mmHg (Cal.)
• Flash point: 159.045°C (Cal.)