2,4-Pentanedione, 3-(1,3-benzodithiol-2-yl)-

Base Information

• Chemical Name: 2,4-Pentanedione, 3-(1,3-benzodithiol-2-yl)-
• CAS No.: 59375-99-4
• Molecular Formula: C12H12O2S2
• DSSTox Substance ID: DTXSID90483484
• Wikidata: Q82320847

Synonyms:59375-99-4;2,4-Pentanedione, 3-(1,3-benzodithiol-2-yl)-;DTXSID90483484

Chemical Property of 2,4-Pentanedione, 3-(1,3-benzodithiol-2-yl)-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 252.02787197
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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