8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Base Information

• Chemical Name: 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
• CAS No.: 6492-93-9
• Molecular Formula: C14H14N4OS2
• Molecular Weight: 318.4172
• DSSTox Substance ID: DTXSID20404541
• NSC Number: 99673
• Wikidata: Q82208802

Synonyms:NSC99673;6492-93-9;DTXSID20404541;NSC-99673

Chemical Property of 8-benzylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Chemical Property:

• Vapor Pressure: 3.67E-12mmHg at 25°C
• Boiling Point: 550.4°Cat760mmHg
• Flash Point: 286.7°C
• Density: 1.48g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 318.06090343
• Heavy Atom Count: 21
• Complexity: 427

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CC=CC=C3

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