3-Acetyl-2,2-dimethyl-2,3-dihydro-1H-1lambda~4~,3-benzothiazol-1-one

Base Information

• Chemical Name: 3-Acetyl-2,2-dimethyl-2,3-dihydro-1H-1lambda~4~,3-benzothiazol-1-one
• CAS No.: 68723-65-9
• Molecular Formula: C₁₁H₁₃NO₂S
• Molecular Weight: 223.296
• DSSTox Substance ID: DTXSID90498351
• Nikkaji Number: J1.229.666E

Synonyms:68723-65-9;DTXSID90498351;3-Acetyl-2,2-dimethyl-2,3-dihydro-1H-1lambda~4~,3-benzothiazol-1-one

Chemical Property of 3-Acetyl-2,2-dimethyl-2,3-dihydro-1H-1lambda~4~,3-benzothiazol-1-one

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 223.06669983
• Heavy Atom Count: 15
• Complexity: 314

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1C2=CC=CC=C2S(=O)C1(C)C

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