S-[2-(4-nitrophenyl)-2-oxoethyl] ethanethioate

Base Information

• Chemical Name: S-[2-(4-nitrophenyl)-2-oxoethyl] ethanethioate
• CAS No.: 351003-18-4
• Molecular Formula: C10H9 N O4 S
• Molecular Weight: 239.25
• DSSTox Substance ID: DTXSID60390752
• Wikidata: Q82187753
• Mol file: 351003-18-4.mol

Synonyms:S-[2-(4-nitrophenyl)-2-oxoethyl] ethanethioate;351003-18-4;2-Acetylthio-4'-nitroacetophenone;DTXSID60390752

Chemical Property of S-[2-(4-nitrophenyl)-2-oxoethyl] ethanethioate

Chemical Property:

• Melting Point: 51-55 °C(lit.)
• Flash Point: >230 °F
• PSA: 105.26000
• LogP: 2.58040
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 239.02522894
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

99%min ^*data from raw suppliers

2-ACETYLTHIO-4'-NITROACETOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCC(=O)C1=CC=C(C=C1)[N+](=O)[O-]