5-(Methylsulfanyl)-2-phenyl-7-(phenylsulfanyl)[1,3]oxazolo[4,5-d]pyrimidine

Base Information

• Chemical Name: 5-(Methylsulfanyl)-2-phenyl-7-(phenylsulfanyl)[1,3]oxazolo[4,5-d]pyrimidine
• CAS No.: 918147-57-6
• Molecular Formula: C18H13N3OS2
• Molecular Weight: 351.44500
• DSSTox Substance ID: DTXSID30679728
• Nikkaji Number: J2.391.464F
• Wikidata: Q82603191

Synonyms:918147-57-6;5-(methylsulfanyl)-2-phenyl-7-(phenylsulfanyl)[1,3]oxazolo[4,5-d]pyrimidine;Oxazolo[4,5-d]pyrimidine, 5-(methylthio)-2-phenyl-7-(phenylthio)-;DTXSID30679728;STL217789;AKOS015860500;2-Phenyl-5-(methylthio)-7-(phenylthio)oxazolo[4,5-d]pyrimidine

Chemical Property of 5-(Methylsulfanyl)-2-phenyl-7-(phenylsulfanyl)[1,3]oxazolo[4,5-d]pyrimidine

Chemical Property:

• Melting Point: 163-165 °C(Solv: acetonitrile (75-05-8))
• Boiling Point: 545.8±53.0 °C(Predicted)
• PSA: 102.41000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 5.15790
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 351.05000439
• Heavy Atom Count: 24
• Complexity: 402

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=C(C(=N1)SC3=CC=CC=C3)OC(=N2)C4=CC=CC=C4

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