3-methyl-5-nitro-1H-pyridine-2-thione

Base Information

• Chemical Name: 3-methyl-5-nitro-1H-pyridine-2-thione
• CAS No.: 6960-21-0
• Molecular Formula: C6H6 N2 O2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30404330
• NSC Number: 69796
• Mol file: 6960-21-0.mol

Synonyms:6960-21-0;NSC 69796;3-methyl-5-nitro-1H-pyridine-2-thione;NSC69796;DTXSID30404330;NSC-69796;AKOS011764607

Chemical Property of 3-methyl-5-nitro-1H-pyridine-2-thione

Chemical Property:

• Vapor Pressure: 0.0602mmHg at 25°C
• Boiling Point: 232.1°C at 760 mmHg
• Flash Point: 94.2°C
• PSA: 93.70000
• Density: 1.4g/cm³
• LogP: 2.48400
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.01499861
• Heavy Atom Count: 11
• Complexity: 275

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: CC1=CC(=CNC1=S)[N+](=O)[O-]

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