Ethanethioic acid, S-(1-(1-methyl-2-nitroethoxy)butyl) ester

Base Information

• Chemical Name: Ethanethioic acid, S-(1-(1-methyl-2-nitroethoxy)butyl) ester
• CAS No.: 54266-64-7
• Molecular Formula: C9H17 N O4 S
• Molecular Weight: 235.3006
• DSSTox Substance ID: DTXSID00969284

Synonyms:Ethanethioic acid, S-(1-(1-methyl-2-nitroethoxy)butyl) ester;54266-64-7;DTXSID00969284;O-{1-[(1-Nitropropan-2-yl)oxy]butyl} ethanethioate

Chemical Property of Ethanethioic acid, S-(1-(1-methyl-2-nitroethoxy)butyl) ester

Chemical Property:

• Vapor Pressure: 0.000719mmHg at 25°C
• Boiling Point: 307.6°Cat760mmHg
• Flash Point: 139.8°C
• Density: 1.129g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 235.08782920
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(OC(C)C[N+](=O)[O-])OC(=S)C
• Isomeric SMILES: CCCC(O[C@@H](C)C[N+](=O)[O-])OC(=S)C

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