S-tert-Butyl 3-oxopentanethioate

Base Information

• Chemical Name: S-tert-Butyl 3-oxopentanethioate
• CAS No.: 88939-10-0
• Molecular Formula: C9H16O2S
• Molecular Weight: 188.291
• DSSTox Substance ID: DTXSID00572075
• Nikkaji Number: J962.558E
• Wikidata: Q82460331

Synonyms:S-tert-Butyl 3-oxopentanethioate;88939-10-0;DTXSID00572075;S-(tert-butyl) 3-oxopentanethioate;3-oxo-pentanethioic acid S-tert-butyl ester

Chemical Property of S-tert-Butyl 3-oxopentanethioate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 188.08710092
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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