3-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]butan-2-one

Base Information

• Chemical Name: 3-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]butan-2-one
• CAS No.: 100989-88-6
• Molecular Formula: C13H16O2S
• Molecular Weight: 236.335
• DSSTox Substance ID: DTXSID30541572
• Wikidata: Q82417955
• Mol file: 100989-88-6.mol

Synonyms:100989-88-6;3-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]butan-2-one;DTXSID30541572

Chemical Property of 3-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]butan-2-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 236.08710092
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C)(C)SCC(=O)C1=CC=CC=C1

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