[1,2,5]Thiadiazolo[3,4-d]Pyrimidin-7(6H)-One
[CAS# 7598-41-6]

Identification

• Name: [1,2,5]Thiadiazolo[3,4-d]Pyrimidin-7(6H)-One
• Synonyms: 6-Hydroxy-8-Thiapurine; Nsc406031; [1,2,5]Thiadiazolo[3,4-D]Pyrimidin-7(3H)-One
• Molecular Formula: C₄H₂N₄OS
• Molecular Weight: 154.15
• CAS Registry Number: 7598-41-6
• SMILES: O=C2C1=NSNC1=NC=N2
• InChI: 1S/C4H2N4OS/c9-4-2-3(5-1-6-4)8-10-7-2/h1H,(H,5,6,8,9)
• InChIKey: RYRDPYFHJVZVFA-UHFFFAOYSA-N

Properties

• Density: 2.19g/cm³ (Cal.)
• Boiling point: 267.128°C at 760 mmHg (Cal.)
• Flash point: 115.355°C (Cal.)