2-(2-Methylsulfanylethyl)-6-Phenyl-2,5,6,7-Tetrahydropyrrolo[2,1-b]Imidazol-3-One
[CAS# 76696-85-0]

Identification

• Name: 2-(2-Methylsulfanylethyl)-6-Phenyl-2,5,6,7-Tetrahydropyrrolo[2,1-b]Imidazol-3-One
• Synonyms: 2-[2-(Methylthio)Ethyl]-6-Phenyl-2,5,6,7-Tetrahydropyrrolo[2,1-B]Imidazol-3-One; 2,5,6,7-Tetrahydro-2-(2-(Methylthio)Ethyl)-6-Phenyl-3H-Pyrrolo(1,2-A)Imidazol-3-One; 3H-Pyrrolo(1,2-A)Imidazol-3-One, 2,5,6,7-Tetrahydro-2-(2-(Methylthio)Ethyl)-6-Phenyl-
• Molecular Formula: C₁₅H₁₈N₂OS
• Molecular Weight: 274.38
• CAS Registry Number: 76696-85-0
• SMILES: C3=C(C2CN1C(=NC(C1=O)CCSC)C2)C=CC=C3
• InChI: 1S/C15H18N2OS/c1-19-8-7-13-15(18)17-10-12(9-14(17)16-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
• InChIKey: ZRVOKYVPHIGZEG-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 417.283°C at 760 mmHg (Cal.)
• Flash point: 206.165°C (Cal.)