ethyl 2-[butan-2-yl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate

Base Information

• Chemical Name: ethyl 2-[butan-2-yl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate
• CAS No.: 82560-47-2
• Molecular Formula: C20H30 N2 O5 S
• Molecular Weight: 410.53
• DSSTox Substance ID: DTXSID901002781
• Mol file: 82560-47-2.mol

Synonyms:82560-47-2;ethyl 2-[butan-2-yl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate;Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylpropyl)-, ethyl ester;DTXSID901002781;LS-72510;Ethyl N-butan-2-yl-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}glycinate

Chemical Property of ethyl 2-[butan-2-yl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate

Chemical Property:

• Vapor Pressure: 9.29E-10mmHg at 25°C
• Boiling Point: 490.3°C at 760 mmHg
• PKA: -0.06±0.70(Predicted)
• Flash Point: 250.3°C
• PSA: 93.61000
• Density: 1.172g/cm³
• LogP: 4.05750
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 410.18754324
• Heavy Atom Count: 28
• Complexity: 545

Purity/Quality:

GLYCINE, N-(((((2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL)OXY)CARBONYL)M ETHYLAMINO)THIO)-N-(1-METHYLPROPYL)-, ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)N(CC(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

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