8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione

Base Information

• Chemical Name: 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
• CAS No.: 6466-37-1
• Molecular Formula: C13H18 N4 O2 S
• Molecular Weight: 294.3726
• NSC Number: 95900
• DSSTox Substance ID: DTXSID80294344
• Wikidata: Q82033603

Synonyms:6466-37-1;8-(cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;NSC95900;DTXSID80294344;NSC-95900

Chemical Property of 8-(Cyclohexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 3.55E-11mmHg at 25°C
• Boiling Point: 526.5°Cat760mmHg
• Flash Point: 272.2°C
• Density: 1.4g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 294.11504700
• Heavy Atom Count: 20
• Complexity: 413

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3CCCCC3

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