3-Thioxotetrahydro-1H-Pyrrolo[1,2-c]Imidazole-1,5(6H)-Dione
[CAS# 13591-06-5]

Identification

• Name: 3-Thioxotetrahydro-1H-Pyrrolo[1,2-c]Imidazole-1,5(6H)-Dione
• Synonyms: 3-thioxo-2,6,7,7a-tetrahydro-2-azapyrrolizine-1,5-dione; 3-thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione; A2020/0084769
• Molecular Formula: C₆H₆N₂O₂S
• Molecular Weight: 170.19
• CAS Registry Number: 13591-06-5
• SMILES: S=C2NC(=O)C1N2C(=O)CC1
• InChI: 1S/C6H6N2O2S/c9-4-2-1-3-5(10)7-6(11)8(3)4/h3H,1-2H2,(H,7,10,11)
• InChIKey: BCIFEPDUHRNYRJ-UHFFFAOYSA-N

Properties

• Density: 1.618g/cm³ (Cal.)
• Refractive index: 1.699 (Cal.)