8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Base Information

• Chemical Name: 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
• CAS No.: 6559-89-3
• Molecular Formula: C14H21N5OS2
• Molecular Weight: 339.4794
• NSC Number: 99660
• DSSTox Substance ID: DTXSID80391100
• Wikidata: Q27190852
• ChEMBL ID: CHEMBL1305446
• Mol file: 6559-89-3.mol

Synonyms:MLS000737207;6559-89-3;8-(1-ethylpiperidin-3-yl)sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one;8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one;NSC99660;CHEMBL1305446;DTXSID80391100;CHEBI:111237;HMS2885M20;NSC-99660;SMR000528467;Q27190852;8-[(1-Ethylpiperidin-3-yl)sulfanyl]-1,3,6,7-tetrahydro-2H-purin-2-one

Chemical Property of 8-[(1-ethyl-3-piperidinyl)thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Chemical Property:

• Vapor Pressure: 1.06E-11mmHg at 25°C
• Boiling Point: 539.3°C at 760 mmHg
• Flash Point: 280°C
• Density: 1.41g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 339.11875266
• Heavy Atom Count: 22
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCCC(C1)SC2=NC3=C(N2)C(=S)N(C(=O)N3C)C