2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethane-1-thiol

Base Information

• Chemical Name: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethane-1-thiol
• CAS No.: 55271-80-2
• Molecular Formula: C6H9N3O2S
• Molecular Weight: 187.222
• DSSTox Substance ID: DTXSID80538674
• Wikidata: Q82414152

Synonyms:55271-80-2;SCHEMBL7009370;DTXSID80538674;2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethane-1-thiol

Chemical Property of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethane-1-thiol

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.04154771
• Heavy Atom Count: 12
• Complexity: 173

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1CCS)[N+](=O)[O-]

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