8-(Butylthio)xanthine

Base Information

• Chemical Name: 8-(Butylthio)xanthine
• CAS No.: 73840-28-5
• Molecular Formula: C9H12N4O2S
• Molecular Weight: 240.2822
• NSC Number: 81501
• UNII: 1OU4QPQ7KJ
• DSSTox Substance ID: DTXSID90994969
• Nikkaji Number: J107.258G
• Wikidata: Q82986138
• Mol file: 73840-28-5.mol

Synonyms:8-(Butylthio)xanthine;Xanthine, 8-(butylthio)-;73840-28-5;1OU4QPQ7KJ;1H-Purine-2,6-dione, 8-(butylthio)-3,7-dihydro-;NSC-81501;8-(Butylthio)-1H-purine-2,6(3H,7H)-dione;NSC 81501;UNII-1OU4QPQ7KJ;8-butylsulfanyl-3,7-dihydropurine-2,6-dione;NCIOpen2_004355;DTXSID90994969;NSC81501;WLN: T56 BM DN FMVMVJ CS4;8-(Butylsulfanyl)-9H-purine-2,6-diol;1H-Purine-2, 8-(butylthio)-3,7-dihydro-;1H-PURINE-2,6-DIONE, 8-(BUTYLTHIO)-3,9-DIHYDRO-

Chemical Property of 8-(Butylthio)xanthine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 119.70000
• Density: 1.45g/cm³
• LogP: 0.83170
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 240.06809681
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

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