8-Mercaptocaffeine hydrochloride

Base Information

• Chemical Name: 8-Mercaptocaffeine hydrochloride
• CAS No.: 56223-58-6
• Molecular Formula: C8H11ClN4O2S
• Molecular Weight: 262.7165

Synonyms:8-Mercaptocaffeine hydrochloride;CAFFEINE, 8-MERCAPTO-, HYDROCHLORIDE;1H-Purine-2,6-dione, 3,7-dihydro-8-mercapto-1,3,7-trimethyl-, monohydrochloride;56223-58-6;C8H10N4O2S.ClH;LS-48592

Chemical Property of 8-Mercaptocaffeine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00111mmHg at 25°C
• Boiling Point: 300.6°C at 760 mmHg
• Flash Point: 135.6°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 262.0291245
• Heavy Atom Count: 16
• Complexity: 417

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+]1C2=C(NC1=S)N(C(=O)N(C2=O)C)C.[Cl-]

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