1,3-dimethyl-8-pentan-2-ylsulfanyl-6-sulfanylidene-7H-purin-2-one

Base Information

• Chemical Name: 1,3-dimethyl-8-pentan-2-ylsulfanyl-6-sulfanylidene-7H-purin-2-one
• CAS No.: 6492-91-7
• Molecular Formula: C12H18 N4 O S2
• Molecular Weight: 298.4275
• ChEMBL ID: CHEMBL1721033
• DSSTox Substance ID: DTXSID00407616
• Nikkaji Number: J3.070.538F
• NSC Number: 99670

Synonyms:MLS002703480;6492-91-7;SMR001570198;1,3-dimethyl-8-pentan-2-ylsulfanyl-6-sulfanylidene-7H-purin-2-one;NSC99670;NCIOpen2_006630;CHEMBL1721033;BDBM83837;cid_5024090;DTXSID00407616;NSC-99670;1,3-dimethyl-8-(1-methylbutylthio)-6-thioxo-7H-purin-2-one;1,3-dimethyl-8-(pentan-2-ylthio)-6-sulfanylidene-7H-purin-2-one

Chemical Property of 1,3-dimethyl-8-pentan-2-ylsulfanyl-6-sulfanylidene-7H-purin-2-one

Chemical Property:

• Vapor Pressure: 2.97E-09mmHg at 25°C
• Boiling Point: 476.7°C at 760 mmHg
• Flash Point: 242.1°C
• Density: 1.35g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 298.09220356
• Heavy Atom Count: 19
• Complexity: 379

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

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