Ethyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate

Base Information

• Chemical Name: Ethyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate
• CAS No.: 84856-28-0
• Molecular Formula: C19H19NO6S2
• Molecular Weight: 421.4873
• DSSTox Substance ID: DTXSID001005140
• Mol file: 84856-28-0.mol

Synonyms:Ethyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate;84856-28-0;ethyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate;N-(1-Oxo-2-((2-thienylcarbonyl)thio)propyl)glycine 2-(ethoxycarbonyl)phenyl ester;Glycine, N-(1-oxo-2-((2-thienylcarbonyl)thio)propyl)-, 2-(ethoxycarbonyl)phenyl ester;C19H19NO6S2;DTXSID001005140;C19-H19-N-O6-S2;LS-72807;N-{2-[2-(Ethoxycarbonyl)phenoxy]-2-oxoethyl}-2-[(thiophene-2-carbonyl)sulfanyl]propanimidic acid

Chemical Property of Ethyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate

Chemical Property:

• Vapor Pressure: 7.76E-14mmHg at 25°C
• Boiling Point: 588.7°Cat760mmHg
• PKA: 12.44±0.46(Predicted)
• Flash Point: 309.8°C
• PSA: 155.80000
• Density: 1.331g/cm³
• LogP: 3.74880
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 421.06537967
• Heavy Atom Count: 28
• Complexity: 585

Purity/Quality:

98% ^*data from raw suppliers

GLYCINE, N-(1-OXO-2-((2-THIENYLCARBONYL)THIO)PROPYL)-, 2-(ETHOXYCARBON YL)PHENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1OC(=O)CNC(=O)C(C)SC(=O)C2=CC=CS2