2-(Methylsulfanyl)-1,4A-Dihydro-4H-Pyrrolo[2,3-d]Pyrimidin-4-One
[CAS# 154757-99-0]

Identification

• Name: 2-(Methylsulfanyl)-1,4A-Dihydro-4H-Pyrrolo[2,3-d]Pyrimidin-4-One
• Synonyms: "2-(methylthio)-4a,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one"
• Molecular Formula: C₇H₇N₃OS
• Molecular Weight: 181.21
• CAS Registry Number: 154757-99-0
• SMILES: CSC1=NC(=O)C2C=CNC2=N1
• InChI: 1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-4H,1H3,(H,8,9,10,11)
• InChIKey: TUIMYXLDKWBYTA-UHFFFAOYSA-N

Properties

• Density: 1.601g/cm³ (Cal.)
• Boiling point: 311.571°C at 760 mmHg (Cal.)
• Flash point: 142.234°C (Cal.)
• Refractive index: 1.776 (Cal.)