3,5-Dichloro-2-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 3,5-Dichloro-2-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid
• CAS No.: 530150-44-8
• Molecular Formula: C18H16Cl2N2O4S
• Molecular Weight: 427.3
• DSSTox Substance ID: DTXSID20391806
• Wikidata: Q82189526
• Mol file: 530150-44-8.mol

Synonyms:DTXSID20391806;3,5-dichloro-2-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid;STK021970;AKOS000293928;530150-44-8;3,5-dichloro-2-({[(3-propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Chemical Property of 3,5-Dichloro-2-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 5.40250
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 426.0207836
• Heavy Atom Count: 27
• Complexity: 552

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O