1-[5-(Methylsulfanyl)-4-nitrothiophen-2-yl]ethan-1-one

Base Information

• Chemical Name: 1-[5-(Methylsulfanyl)-4-nitrothiophen-2-yl]ethan-1-one
• CAS No.: 79456-45-4
• Molecular Formula: C7H7NO3S2
• DSSTox Substance ID: DTXSID30603664
• Nikkaji Number: J270.093J
• Wikidata: Q82501137
• Mol file: 79456-45-4.mol

Synonyms:79456-45-4;SCHEMBL10740022;1-[5-(Methylsulfanyl)-4-nitrothiophen-2-yl]ethan-1-one;DTXSID30603664;XSKKSRFLOSYDJA-UHFFFAOYSA-N;methylthio-3-nitro-5-acetylthiophene;2-methylthio-3-nitro-5-acetylthiophene

Chemical Property of 1-[5-(Methylsulfanyl)-4-nitrothiophen-2-yl]ethan-1-one

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.98673543
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(S1)SC)[N+](=O)[O-]