6-Ethyl-4-Thioxo-4,5-Dihydro-1H-Pyrrolo[3,2-d]Pyrimidine-7-Carbonitrile
[CAS# 473998-07-1]

Identification

• Name: 6-Ethyl-4-Thioxo-4,5-Dihydro-1H-Pyrrolo[3,2-d]Pyrimidine-7-Carbonitrile
• Synonyms: 6-ethyl-4-thioxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
• Molecular Formula: C₉H₈N₄S
• Molecular Weight: 204.25
• CAS Registry Number: 473998-07-1
• SMILES: N#Cc2c1N\C=N/C(=S)c1nc2CC
• InChI: 1S/C9H8N4S/c1-2-6-5(3-10)7-8(13-6)9(14)12-4-11-7/h4,13H,2H2,1H3,(H,11,12,14)
• InChIKey: BNUKXVKZXSFFLM-UHFFFAOYSA-N

Properties

• Density: 1.468g/cm³ (Cal.)
• Boiling point: 446.259°C at 760 mmHg (Cal.)
• Flash point: 223.689°C (Cal.)
• Refractive index: 1.758 (Cal.)