1,3-dimethyl-8-(2-phenylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

Base Information

• Chemical Name: 1,3-dimethyl-8-(2-phenylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
• CAS No.: 6493-01-2
• Molecular Formula: C15H16N4OS2
• Molecular Weight: 332.4437
• DSSTox Substance ID: DTXSID20404066
• NSC Number: 99684
• Wikidata: Q82208041

Synonyms:NSC99684;6493-01-2;DTXSID20404066;NSC-99684

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

Chemical Property:

• Vapor Pressure: 1.66E-12mmHg at 25°C
• Boiling Point: 558.5°Cat760mmHg
• Flash Point: 291.6°C
• Density: 1.44g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 332.07655349
• Heavy Atom Count: 22
• Complexity: 441

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCC3=CC=CC=C3

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