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

Base Information

• Chemical Name: 8-(3,3-dimethylbutylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
• CAS No.: 6492-97-3
• Molecular Formula: C13H20 N4 O S2
• Molecular Weight: 312.4541
• ChEMBL ID: CHEMBL1728287
• DSSTox Substance ID: DTXSID30404698
• Nikkaji Number: J3.070.541F
• NSC Number: 99678
• Wikidata: Q82209003

Synonyms:MLS002703486;6492-97-3;NSC99678;CHEMBL1728287;DTXSID30404698;NSC-99678;ZINC04632857;SMR001570204

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

Chemical Property:

• Vapor Pressure: 1.4E-09mmHg at 25°C
• Boiling Point: 485.5°Cat760mmHg
• Flash Point: 247.4°C
• Density: 1.32g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 312.10785362
• Heavy Atom Count: 20
• Complexity: 410

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

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