1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one

Base Information

• Chemical Name: 1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one
• CAS No.: 6493-02-3
• Molecular Formula: C16H18N4OS2
• Molecular Weight: 346.4703
• NSC Number: 99676
• DSSTox Substance ID: DTXSID80390572
• Nikkaji Number: J2.911.257F
• Wikidata: Q82187444
• ChEMBL ID: CHEMBL1604377

Synonyms:NSC99676;NSC-99676;6493-02-3;NCIStruc1_001297;NCIStruc2_001000;CHEMBL1604377;SCHEMBL13609255;DTXSID80390572;NCI99676;CCG-36629;NCGC00014039;NCGC00014039-02;NCGC00097148-01;NCI60_042238;1,3-dimethyl-8-((3-phenylpropyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one;1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one

Chemical Property of 1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one

Chemical Property:

• Vapor Pressure: 9.43E-13mmHg at 25°C
• Boiling Point: 564.2°Cat760mmHg
• Flash Point: 295°C
• Density: 1.4g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 346.09220356
• Heavy Atom Count: 23
• Complexity: 455

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC3=CC=CC=C3

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