2-({[(4-Propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Base Information

• Chemical Name: 2-({[(4-Propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
• CAS No.: 433688-03-0
• Molecular Formula: C18H18N2O4S
• Molecular Weight: 358.41
• DSSTox Substance ID: DTXSID10367818
• Wikidata: Q82153919
• Mol file: 433688-03-0.mol

Synonyms:STK108335;2-({[(4-propoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid;Oprea1_765007;DTXSID10367818;AKOS000289227;433688-03-0

Chemical Property of 2-({[(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: 478

Purity/Quality:

98% ^*data from raw suppliers

2-[[[(4-PROPOXYBENZOYL)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: CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O