1H-Thiopyrano[3,2-D]pyrimidine

Base Information

• Chemical Name: 1H-Thiopyrano[3,2-D]pyrimidine
• CAS No.: 42377-24-2
• Molecular Formula: C7H6N2S
• Molecular Weight: 150.20094
• DSSTox Substance ID: DTXSID60602084
• Wikidata: Q82499024
• Mol file: 42377-24-2.mol

Synonyms:1H-THIOPYRANO[3,2-D]PYRIMIDINE;42377-24-2;DTXSID60602084;DB-259709

Chemical Property of 1H-Thiopyrano[3,2-D]pyrimidine

Chemical Property:

• Boiling Point: 305.3±45.0 °C(Predicted)
• PKA: 5.44±0.20(Predicted)
• PSA: 53.98000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 1.09070
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.02516937
• Heavy Atom Count: 10
• Complexity: 261

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC2=CN=CNC2=C1

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