Octanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester

Base Information

• Chemical Name: Octanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester
• CAS No.: 61540-12-3
• Molecular Formula: C12H22O2S
• DSSTox Substance ID: DTXSID70484813
• Wikidata: Q82323477

Synonyms:61540-12-3;Octanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester;DTXSID70484813

Chemical Property of Octanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 230.13405111
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)CC(=O)SC(C)(C)C

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