3-Indolizinecarboxylic acid, 2-(methylthio)-, ethyl ester

Base Information

• Chemical Name: 3-Indolizinecarboxylic acid, 2-(methylthio)-, ethyl ester
• CAS No.: 123471-45-4
• Molecular Formula: C₁₂H₁₃NO₂S
• Molecular Weight: 235.307
• DSSTox Substance ID: DTXSID901257172

Synonyms:123471-45-4;3-Indolizinecarboxylic acid, 2-(methylthio)-, ethyl ester;ethyl 2-(methylthio)indolizine-3-carboxylate;ethyl 2-methylsulfanylindolizine-3-carboxylate;SCHEMBL2972768;WMIFFHDUCARTFF-UHFFFAOYSA-N;DTXSID901257172;Ethyl 2-(methylthio)-3-indolizinecarboxylate;G64820;ethyl 2-(methylsulphanyl)-3-indolizinecarboxylate

Chemical Property of 3-Indolizinecarboxylic acid, 2-(methylthio)-, ethyl ester

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 235.06669983
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

98%+ ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C2N1C=CC=C2)SC

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