Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate

Base Information

• Chemical Name: Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate
• CAS No.: 91141-73-0
• Molecular Formula: C13H16 N4 O4 S
• Molecular Weight: 324.3555
• NSC Number: 519802
• DSSTox Substance ID: DTXSID60398319

Synonyms:91141-73-0;Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate;DTXSID60398319;NSC519802;NSC-519802

Chemical Property of Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate

Chemical Property:

• Vapor Pressure: 1.35E-08mmHg at 25°C
• Boiling Point: 458.6°Cat760mmHg
• Flash Point: 231.2°C
• Density: 1.44g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 324.08922618
• Heavy Atom Count: 22
• Complexity: 398

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C(=O)OCC)SC1=NC=NC2=C1NC=N2

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