2-(Ethylsulfanyl)cyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 2-(Ethylsulfanyl)cyclohepta-2,4,6-trien-1-one
• CAS No.: 54290-23-2
• Molecular Formula: C9H10OS
• DSSTox Substance ID: DTXSID80497459
• Nikkaji Number: J1.843.415F

Synonyms:54290-23-2;2-(Ethylsulfanyl)cyclohepta-2,4,6-trien-1-one;DTXSID80497459;EN300-337737

Chemical Property of 2-(Ethylsulfanyl)cyclohepta-2,4,6-trien-1-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC=CC=CC1=O

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