3,5-Dinitro-N-phenylbenzene-1-carbothioamide

Base Information

• Chemical Name: 3,5-Dinitro-N-phenylbenzene-1-carbothioamide
• CAS No.: 6244-76-4
• Molecular Formula: C13H9N3O4S
• Molecular Weight: 303.298
• DSSTox Substance ID: DTXSID90514363
• Nikkaji Number: J1.855.858K
• Wikidata: Q82374651
• Mol file: 6244-76-4.mol

Synonyms:6244-76-4;3,5-Dinitro-N-phenylbenzene-1-carbothioamide;DTXSID90514363

Chemical Property of 3,5-Dinitro-N-phenylbenzene-1-carbothioamide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 303.03137695
• Heavy Atom Count: 21
• Complexity: 393

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]