1-Hydroxy-7-methyl-8-(methylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione

Base Information

• Chemical Name: 1-Hydroxy-7-methyl-8-(methylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione
• CAS No.: 1080-62-2
• Molecular Formula: C7H8 N4 O3 S
• Molecular Weight: 228.2284
• NSC Number: 85704
• DSSTox Substance ID: DTXSID50292817
• Wikidata: Q82031278
• Mol file: 1080-62-2.mol

Synonyms:1080-62-2;1-hydroxy-7-methyl-8-(methylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione;NSC85704;DTXSID50292817;NSC-85704

Chemical Property of 1-Hydroxy-7-methyl-8-(methylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione

Chemical Property:

• Density: 1.84g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 228.03171130
• Heavy Atom Count: 15
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(NC(=O)N(C2=O)O)N=C1SC

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