[(4-Amino-3-nitrophenyl)sulfanyl]acetonitrile

Base Information

• Chemical Name: [(4-Amino-3-nitrophenyl)sulfanyl]acetonitrile
• CAS No.: 54029-67-3
• Molecular Formula: C8H7N3O2S
• DSSTox Substance ID: DTXSID00606081
• Wikidata: Q82504649

Synonyms:54029-67-3;[(4-Amino-3-nitrophenyl)sulfanyl]acetonitrile;SCHEMBL11633347;DTXSID00606081;BOVGVHPMJHCZOF-UHFFFAOYSA-N;1-amino-2-nitro-4-cyanomethylthiobenzene;1 -amino-2-nitro-4-cyanomethylthiobenzene

Chemical Property of [(4-Amino-3-nitrophenyl)sulfanyl]acetonitrile

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 209.02589765
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1SCC#N)[N+](=O)[O-])N

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