1,3-Dimethyl-8-[(pyridin-4-ylmethyl)sulfanyl]-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one

Base Information

• Chemical Name: 1,3-Dimethyl-8-[(pyridin-4-ylmethyl)sulfanyl]-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
• CAS No.: 6466-16-6
• Molecular Formula: C13H13 N5 O S2
• Molecular Weight: 319.4052
• NSC Number: 99665
• DSSTox Substance ID: DTXSID70295103
• Wikidata: Q82034816

Synonyms:6466-16-6;1,3-Dimethyl-8-((pyridin-4-ylmethyl)thio)-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one;1,3-dimethyl-8-[(pyridin-4-ylmethyl)sulfanyl]-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one;NSC99665;DTXSID70295103;NSC-99665

Chemical Property of 1,3-Dimethyl-8-[(pyridin-4-ylmethyl)sulfanyl]-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one

Chemical Property:

• Vapor Pressure: 1.33E-13mmHg at 25°C
• Boiling Point: 583.5°Cat760mmHg
• Flash Point: 306.7°C
• Density: 1.54g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 319.05615240
• Heavy Atom Count: 21
• Complexity: 429

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: CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCC3=CC=NC=C3

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