1,3-Dimethyl-6-thioxo-8-(2-ethylbutylthio)-7H-purine-2(3H)-one

Base Information

• Chemical Name: 1,3-Dimethyl-6-thioxo-8-(2-ethylbutylthio)-7H-purine-2(3H)-one
• CAS No.: 6492-99-5
• Molecular Formula: C13H20 N4 O S2
• Molecular Weight: 312.4541
• NSC Number: 99681
• DSSTox Substance ID: DTXSID30394722
• Nikkaji Number: J3.070.542D
• Wikidata: Q82194284

Synonyms:NSC99681;6492-99-5;DTXSID30394722;NSC-99681;1,3-Dimethyl-6-thioxo-8-(2-ethylbutylthio)-7H-purine-2(3H)-one

Chemical Property of 1,3-Dimethyl-6-thioxo-8-(2-ethylbutylthio)-7H-purine-2(3H)-one

Chemical Property:

• Vapor Pressure: 8.22E-10mmHg at 25°C
• Boiling Point: 491.7°C at 760 mmHg
• Flash Point: 251.2°C
• Density: 1.31g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 312.10785362
• Heavy Atom Count: 20
• Complexity: 389

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)CSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

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