6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide

Base Information

• Chemical Name: 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide
• CAS No.: 61604-54-4
• Molecular Formula: C14H16O2S
• Molecular Weight: 248.34100
• DSSTox Substance ID: DTXSID70399231
• Mol file: 61604-54-4.mol

Synonyms:6-benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide;61604-54-4;6-benzyl-8lambda6-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide;AE-562/12222028;DTXSID70399231

Chemical Property of 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide

Chemical Property:

• PSA: 42.52000
• LogP: 3.58580
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.08710092
• Heavy Atom Count: 17
• Complexity: 410

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C=C(C(C1)S2(=O)=O)CC3=CC=CC=C3

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