4-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 4-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
• CAS No.: 530132-21-9
• Molecular Formula: C19H13N3O6S
• Molecular Weight: 411.39
• DSSTox Substance ID: DTXSID30403787
• Wikidata: Q82207589
• Mol file: 530132-21-9.mol

Synonyms:4-[[5-(3-nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid;530132-21-9;DTXSID30403787;AKOS000293974

Chemical Property of 4-[[5-(3-Nitrophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 180.01000
• LogP: 4.99830
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 411.05250632
• Heavy Atom Count: 29
• Complexity: 646

Purity/Quality:

4-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O