1,3-Dimethyl-8-((2-(piperidin-1-yl)ethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one

Base Information

• Chemical Name: 1,3-Dimethyl-8-((2-(piperidin-1-yl)ethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one
• CAS No.: 6466-17-7
• Molecular Formula: C14H21 N5 O S2
• Molecular Weight: 339.4794
• NSC Number: 99666
• DSSTox Substance ID: DTXSID30295104
• Wikidata: Q82034817
• ChEMBL ID: CHEMBL1883732

Synonyms:6466-17-7;MLS002695369;1,3-Dimethyl-8-((2-(piperidin-1-yl)ethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one;HMS3087E21;NSC99666;CHEMBL1883732;DTXSID30295104;NSC-99666;SMR001561275

Chemical Property of 1,3-Dimethyl-8-((2-(piperidin-1-yl)ethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one

Chemical Property:

• Vapor Pressure: 5.51E-12mmHg at 25°C
• Boiling Point: 546.2°C at 760 mmHg
• Flash Point: 284.1°C
• Density: 1.41g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 339.11875266
• Heavy Atom Count: 22
• Complexity: 443

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCCN3CCCCC3

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