methyl 2-(1H-pyrrole-2-carbothioylamino)benzoate

Base Information

• Chemical Name: methyl 2-(1H-pyrrole-2-carbothioylamino)benzoate
• CAS No.: 89812-71-5
• Molecular Formula: C₁₃H₁₂N₂O₂S
• Molecular Weight: 260.316
• DSSTox Substance ID: DTXSID90520121
• Wikidata: Q82383796

Synonyms:89812-71-5;Methyl 2-(1H-pyrrole-2-carbothioamido)benzoate;methyl 2-(1H-pyrrole-2-carbothioylamino)benzoate;DTXSID90520121;Methyl 2-[(1H-pyrrole-2-carbothioyl)amino]benzoate;methyl 2-[(1H-pyrrol-2-ylcarbothioyl)amino]benzoate

Chemical Property of methyl 2-(1H-pyrrole-2-carbothioylamino)benzoate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 260.06194880
• Heavy Atom Count: 18
• Complexity: 322

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1NC(=S)C2=CC=CN2

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