5-Methyl-1-benzothiophene-2,3-dione

Base Information

• Chemical Name: 5-Methyl-1-benzothiophene-2,3-dione
• CAS No.: 50891-89-9
• Molecular Formula: C9H6O2S
• Molecular Weight: 178.211
• DSSTox Substance ID: DTXSID90384927
• Nikkaji Number: J819.601J
• Mol file: 50891-89-9.mol

Synonyms:5-methyl-1-benzothiophene-2,3-dione;50891-89-9;5-methylbenzothiophene-2,3-dione;DTXSID90384927;CCG-56316;AKOS026735807;5-methyl-benzo[b]thiophene-2,3-dione;SR-01000645283-1

Chemical Property of 5-Methyl-1-benzothiophene-2,3-dione

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 178.00885060
• Heavy Atom Count: 12
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SC(=O)C2=O

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