1-Ethyl 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)benzoate

Base Information

• Chemical Name: 1-Ethyl 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)benzoate
• CAS No.: 160092-87-5
• Deprecated CAS: 182228-02-0
• Molecular Formula: C17H18N2O4S
• Molecular Weight: 346.4
• DSSTox Substance ID: DTXSID10936220
• Mol file: 160092-87-5.mol

Synonyms:1-Ethyl 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)benzoate;Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester;160092-87-5;DTXSID10936220;LS-36383;({[4-(Ethoxycarbonyl)anilino](pyridin-3-yl)methyl}sulfanyl)acetic acid

Chemical Property of 1-Ethyl 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)benzoate

Chemical Property:

• Vapor Pressure: 2.01E-13mmHg at 25°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 346.09872823
• Heavy Atom Count: 24
• Complexity: 413

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)SCC(=O)O