4-({[(4-Propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Base Information

• Chemical Name: 4-({[(4-Propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
• CAS No.: 434308-61-9
• Molecular Formula: C18H18N2O4S
• Molecular Weight: 358.41
• DSSTox Substance ID: DTXSID90367836
• Wikidata: Q82153947
• Mol file: 434308-61-9.mol

Synonyms:STK110390;434308-61-9;DTXSID90367836;AKOS000109131;4-({[(4-propoxybenzoyl)amino]carbonothioyl}amino)benzoic acid;4-({[(4-propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Chemical Property of 4-({[(4-Propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 4.09570
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 358.09872823
• Heavy Atom Count: 25
• Complexity: 470

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O