2-{[(2-Benzofuran-1-carbonyl)carbamothioyl]amino}-3,5-dichlorobenzoic acid

Base Information

• Chemical Name: 2-{[(2-Benzofuran-1-carbonyl)carbamothioyl]amino}-3,5-dichlorobenzoic acid
• CAS No.: 530147-46-7
• Molecular Formula: C17H10Cl2N2O4S
• Molecular Weight: 409.24
• DSSTox Substance ID: DTXSID40702950
• Wikidata: Q82634986
• Mol file: 530147-46-7.mol

Synonyms:DTXSID40702950;2-{[(2-Benzofuran-1-carbonyl)carbamothioyl]amino}-3,5-dichlorobenzoic acid;530147-46-7

Chemical Property of 2-{[(2-Benzofuran-1-carbonyl)carbamothioyl]amino}-3,5-dichlorobenzoic acid

Chemical Property:

• PSA: 134.19000
• LogP: 5.35990
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 407.9738334
• Heavy Atom Count: 26
• Complexity: 579

Purity/Quality:

2-[[[(2-BENZOFURANYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DICHLORO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=COC(=C2C=C1)C(=O)NC(=S)NC3=C(C=C(C=C3Cl)Cl)C(=O)O