Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate

Base Information

• Chemical Name: Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate
• CAS No.: 84856-30-4
• Molecular Formula: C21H23NO6S2
• Molecular Weight: 449.54
• DSSTox Substance ID: DTXSID401005142
• Mol file: 84856-30-4.mol

Synonyms:Butyl o-(2-thenoylmercaptopropionylglycyloxy)benzoate;84856-30-4;butyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate;Glycine, N-(1-oxo-2-((2-thienylcarbonyl)thio)propyl)-, 2-(butoxycarbonyl)phenyl ester;N-(1-Oxo-2-((2-thienylcarbonyl)thio)propyl)glycine 2-(butoxycarbonyl)phenyl ester;C21H23NO6S2;DTXSID401005142;C21-H23-N-O6-S2;LS-72806;N-{2-[2-(Butoxycarbonyl)phenoxy]-2-oxoethyl}-2-[(thiophene-2-carbonyl)sulfanyl]propanimidic acid

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

Chemical Property:

• Vapor Pressure: 1.35E-14mmHg at 25°C
• Boiling Point: 605.2°C at 760 mmHg
• Flash Point: 319.8°C
• PSA: 155.80000
• Density: 1.285g/cm³
• LogP: 4.52900
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 449.09667980
• Heavy Atom Count: 30
• Complexity: 614

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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