2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile

Base Information

• Chemical Name: 2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile
• CAS No.: 110579-01-6
• Molecular Formula: C6H6 N4 O2 S
• Molecular Weight: 198.2
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40149306
• Wikidata: Q83015052
• Mol file: 110579-01-6.mol

Synonyms:110579-01-6;2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile;BRN 5532695;2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile;Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-;((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile;DTXSID40149306;QXEAKCLPSIRBIW-UHFFFAOYSA-N;AKOS006279561;2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetonitrile

Chemical Property of 2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile

Chemical Property:

• Vapor Pressure: 2.11E-08mmHg at 25°C
• Boiling Point: 453.2°Cat760mmHg
• Flash Point: 227.9°C
• PSA: 112.73000
• Density: 1.5g/cm³
• LogP: 1.46718
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 198.02114662
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

2-((1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)ACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC(=C1SCC#N)[N+](=O)[O-]