2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-

Base Information

• Chemical Name: 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-
• CAS No.: 5268-65-5
• Molecular Formula: C₁₂H₁₂N₂O₂S
• Molecular Weight: 248.305
• DSSTox Substance ID: DTXSID40402069
• Nikkaji Number: J819.461K
• Wikidata: Q82205426
• Mol file: 5268-65-5.mol

Synonyms:5268-65-5;2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-;DTXSID40402069;AKOS024372006;3-(1H-Benzoimidazole-2-ylthio)-2,4-pentanedione

Chemical Property of 2,4-Pentanedione, 3-(1H-benzimidazol-2-ylthio)-

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 248.06194880
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

95% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C(C(=O)C)SC1=NC2=CC=CC=C2N1

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