2,8-dihydro-1H-pyrimido[5,4-e][1,2,4]triazine-5-thione

Base Information

• Chemical Name: 2,8-dihydro-1H-pyrimido[5,4-e][1,2,4]triazine-5-thione
• CAS No.: 21308-86-1
• Molecular Formula: C5H5 N5 S
• Molecular Weight: 167.1917
• NSC Number: 101621
• DSSTox Substance ID: DTXSID20393527
• Mol file: 21308-86-1.mol

Synonyms:NSC101621;21308-86-1;NSC 101621;DTXSID20393527;NSC-101621

Chemical Property of 2,8-dihydro-1H-pyrimido[5,4-e][1,2,4]triazine-5-thione

Chemical Property:

• Vapor Pressure: 0.00464mmHg at 25°C
• Boiling Point: 277°Cat760mmHg
• Flash Point: 121.3°C
• Density: 1.89g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.02656635
• Heavy Atom Count: 11
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=S)C2=C(N1)NNC=N2

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