(3S,6S,7aS)-3-Ethyl-3-Methyl-6-Sulfanylhexahydro-1H-Pyrrolo[1,2-c]Imidazol-1-One
[CAS# 474670-28-5]

Identification

• Name: (3S,6S,7aS)-3-Ethyl-3-Methyl-6-Sulfanylhexahydro-1H-Pyrrolo[1,2-c]Imidazol-1-One
• Synonyms: (3S,6S,7aS)-3-ethyl-6-mercapto-3-methylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
• Molecular Formula: C₉H₁₆N₂OS
• Molecular Weight: 200.30
• CAS Registry Number: 474670-28-5
• SMILES: CC[C@]1(NC(=O)[C@H]2N1C[C@H](C2)S)C
• InChI: 1S/C9H16N2OS/c1-3-9(2)10-8(12)7-4-6(13)5-11(7)9/h6-7,13H,3-5H2,1-2H3,(H,10,12)/t6-,7-,9-/m0/s1
• InChIKey: KFRZQBJPKINLNJ-ZKWXMUAHSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 361.311°C at 760 mmHg (Cal.)
• Flash point: 172.315°C (Cal.)
• Refractive index: 1.572 (Cal.)