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

Base Information

• Chemical Name: 8-hexan-3-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
• CAS No.: 6492-94-0
• Molecular Formula: C13H20 N4 O S2
• Molecular Weight: 312.4541
• ChEMBL ID: CHEMBL1701436
• DSSTox Substance ID: DTXSID90407640
• NSC Number: 99674

Synonyms:MLS002703484;6492-94-0;NSC99674;CHEMBL1701436;DTXSID90407640;NSC-99674;SMR001570202

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

Chemical Property:

• Vapor Pressure: 1.33E-09mmHg at 25°C
• Boiling Point: 486.1°Cat760mmHg
• Flash Point: 247.8°C
• Density: 1.31g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 312.10785362
• Heavy Atom Count: 20
• Complexity: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

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