Xanthine, 8-(heptylthio)-

Base Information

• Chemical Name: Xanthine, 8-(heptylthio)-
• CAS No.: 73840-30-9
• Molecular Formula: C12H18N4O2S
• Molecular Weight: 282.3619
• NSC Number: 81504
• DSSTox Substance ID: DTXSID60224402
• Nikkaji Number: J107.260I
• Wikidata: Q83102986
• Mol file: 73840-30-9.mol

Synonyms:Xanthine, 8-(heptylthio)-;8-(Heptylthio)xanthine;73840-30-9;1H-Purine-2,6-dione, 3,7-dihydro-8-(heptylthio)-;NCIOpen2_004235;DTXSID60224402;NSC81504;NSC-81504;LS-162526;1H-Purine-2,6-dione, 8-(heptylthio)-3,7-dihydro-

Chemical Property of Xanthine, 8-(heptylthio)-

Chemical Property:

• Melting Point: >280 °C
• Boiling Point: °Cat760mmHg
• PKA: 7.20±0.70(Predicted)
• Flash Point: °C
• PSA: 120.22000
• Density: 1.31g/cm³
• LogP: 2.82660
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 282.11504700
• Heavy Atom Count: 19
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

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