3,7-Dihydro-3-Methyl-2-(Methylthio)-4H-Pyrrolo[2,3-d]Pyrimidin-4-One
[CAS# 29877-79-0]

Identification

• Name: 3,7-Dihydro-3-Methyl-2-(Methylthio)-4H-Pyrrolo[2,3-d]Pyrimidin-4-One
• Synonyms: 3-Methyl-2-(Methylthio)-7H-Pyrrolo[3,2-E]Pyrimidin-4-One; Nsc138168
• Molecular Formula: C₈H₉N₃OS
• Molecular Weight: 195.24
• CAS Registry Number: 29877-79-0
• SMILES: C2=CC1=C(N=C(N(C1=O)C)SC)[NH]2
• InChI: 1S/C8H9N3OS/c1-11-7(12)5-3-4-9-6(5)10-8(11)13-2/h3-4,9H,1-2H3
• InChIKey: BURKBWKGMBQYCI-UHFFFAOYSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 405.381°C at 760 mmHg (Cal.)
• Flash point: 198.968°C (Cal.)