2-(Methylsulfanyl)-1,7-Dihydro-4H-Pyrrolo[2,3-d]Pyrimidin-4-One
[CAS# 154819-41-7]

Identification

• Name: 2-(Methylsulfanyl)-1,7-Dihydro-4H-Pyrrolo[2,3-d]Pyrimidin-4-One
• Synonyms: "2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol"; 2-(Methylsulfanyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one #; 2-(methylthio)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
• Molecular Formula: C₇H₇N₃OS
• Molecular Weight: 181.21
• CAS Registry Number: 154819-41-7
• SMILES: O=C2/N=C(/SC)Nc1nccc12
• InChI: 1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)
• InChIKey: YLZXOIATWSHVDK-UHFFFAOYSA-N

Properties

• Density: 1.601g/cm³ (Cal.)
• Melting point: 296-298°C (Expl.)
• Boiling point: 422.306°C at 760 mmHg (Cal.)
• Flash point: 209.204°C (Cal.)
• Refractive index: 1.776 (Cal.)

Safety Data

• Safety Description: Irritant