3,5-Dibromo-2-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid

Base Information

• Chemical Name: 3,5-Dibromo-2-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid
• CAS No.: 586392-09-8
• Molecular Formula: C15H10Br2N2O4S
• Molecular Weight: 474.12
• DSSTox Substance ID: DTXSID40390891
• Mol file: 586392-09-8.mol

Synonyms:DTXSID40390891;3,5-dibromo-2-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid;586392-09-8

Chemical Property of 3,5-Dibromo-2-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoic acid

Chemical Property:

• PSA: 134.19000
• LogP: 5.09000
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 473.87075
• Heavy Atom Count: 24
• Complexity: 532

Purity/Quality:

3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]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=COC(=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O