3-(3-Oxobutyl)-2,3-dihydro-4H-thiopyran-4-one

Base Information

• Chemical Name: 3-(3-Oxobutyl)-2,3-dihydro-4H-thiopyran-4-one
• CAS No.: 89241-45-2
• Molecular Formula: C9H12O2S
• DSSTox Substance ID: DTXSID20528756

Synonyms:89241-45-2;3-(3-Oxobutyl)-2,3-dihydro-4H-thiopyran-4-one;DTXSID20528756

Chemical Property of 3-(3-Oxobutyl)-2,3-dihydro-4H-thiopyran-4-one

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 184.05580079
• Heavy Atom Count: 12
• Complexity: 221

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1CSC=CC1=O

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