1,3-Benzodithiole-2-carboxylic acid, methyl ester

Base Information

• Chemical Name: 1,3-Benzodithiole-2-carboxylic acid, methyl ester
• CAS No.: 144558-76-9
• Molecular Formula: C₉H₈O₂S₂
• Molecular Weight: 212.293
• DSSTox Substance ID: DTXSID40452160
• Wikidata: Q82272591

Synonyms:1,3-Benzodithiole-2-carboxylic acid, methyl ester;144558-76-9;DTXSID40452160

Chemical Property of 1,3-Benzodithiole-2-carboxylic acid, methyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 211.99657184
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1SC2=CC=CC=C2S1

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