2-((2-Hydroxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)amino)benzoic acid

Base Information

• Chemical Name: 2-((2-Hydroxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)amino)benzoic acid
• CAS No.: 133506-53-3
• Molecular Formula: C17H17 N5 O3 S
• Molecular Weight: 371.41
• DSSTox Substance ID: DTXSID10928160
• Mol file: 133506-53-3.mol

Synonyms:133506-53-3;2-((2-Hydroxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)amino)benzoic acid;2-[[2-hydroxy-3-(1-phenyltetrazol-5-yl)sulfanylpropyl]amino]benzoic acid;Benzoic acid, 2-((2-hydroxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)amino)-;C17H17N5O3S;DTXSID10928160;C17-H17-N5-O3-S;LS-37674;2-({2-Hydroxy-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)benzoic acid

Chemical Property of 2-((2-Hydroxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)amino)benzoic acid

Chemical Property:

• Vapor Pressure: 1.32E-19mmHg at 25°C
• Boiling Point: 683.3°Cat760mmHg
• PKA: 13.52±0.20(Predicted)
• Flash Point: 367°C
• PSA: 138.46000
• Density: 1.44g/cm³
• LogP: 1.99860
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 371.10521059
• Heavy Atom Count: 26
• Complexity: 452

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=NN=N2)SCC(CNC3=CC=CC=C3C(=O)O)O