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

Base Information

• Chemical Name: 4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid
• CAS No.: 87998-76-3
• Molecular Formula: C16H14N2O4S
• Molecular Weight: 330.3584
• Hs Code.: 2930909090
• European Community (EC) Number: 661-811-9
• NSC Number: 216344
• DSSTox Substance ID: DTXSID40402266
• Mol file: 87998-76-3.mol

Synonyms:87998-76-3;NSC216344;SCHEMBL7822012;DTXSID40402266;AKOS000109422;NSC-216344;4-{[(Phenoxyacetyl)carbamothioyl]amino}benzoic acid;4-({[(phenoxyacetyl)amino]carbothioyl}amino)benzoic acid

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 119.75000
• Density: 1.413g/cm³
• LogP: 2.74070
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 330.06742811
• Heavy Atom Count: 23
• Complexity: 430

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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