2-Thiabicyclo[2.2.1]heptan-3-one

Base Information

• Chemical Name: 2-Thiabicyclo[2.2.1]heptan-3-one
• CAS No.: 54396-36-0
• Molecular Formula: C₆H₈OS
• Molecular Weight: 128.195
• DSSTox Substance ID: DTXSID501302531

Synonyms:2-Thiabicyclo[2.2.1]heptan-3-one;SCHEMBL23491011;DTXSID501302531;54396-36-0

Chemical Property of 2-Thiabicyclo[2.2.1]heptan-3-one

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.02958605
• Heavy Atom Count: 8
• Complexity: 133

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MSDS Files:

Useful:

• Canonical SMILES: C1CC2CC1C(=O)S2

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