2,6-Diethyl-5-thioxo-2,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
[CAS# 828299-89-4]

Identification

• Name: 2,6-Diethyl-5-thioxo-2,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
• Synonyms: 2,6-diethyl-5-mercapto-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one; 2,6-diethyl-5-sulfanyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one; 2,6-diethyl-5-sulfanyl-6-hydropyrazolo[4,3-d]pyrimidin-7-one
• Molecular Formula: C₉H₁₂N₄OS
• Molecular Weight: 224.28
• CAS Registry Number: 828299-89-4
• SMILES: O=C2c1nn(cc1NC(=S)N2CC)CC
• InChI: 1S/C9H12N4OS/c1-3-12-5-6-7(11-12)8(14)13(4-2)9(15)10-6/h5H,3-4H2,1-2H3,(H,10,15)
• InChIKey: GMIPQYFDYDHBDQ-UHFFFAOYSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 382.064°C at 760 mmHg (Cal.)
• Flash point: 184.866°C (Cal.)
• Refractive index: 1.709 (Cal.)