3H-1,2-Benzodithiol-3-one 1-oxide

Base Information

• Chemical Name: 3H-1,2-Benzodithiol-3-one 1-oxide
• CAS No.: 66304-00-5
• Molecular Formula: C7H4O2S2
• Molecular Weight: 184.24
• NSC Number: 686574
• DSSTox Substance ID: DTXSID20420201
• Nikkaji Number: J675.141E
• ChEMBL ID: CHEMBL1964318

Synonyms:3H-1,2-Benzodithiol-3-one 1-oxide;NSC686574;66304-00-5;SCHEMBL7693947;CHEMBL1964318;DTXSID20420201;RFKVIOFDUHRMTD-UHFFFAOYSA-N;3-Oxo-3H-1,2-benzodithiol 1-oxide;3H-1,2-Benzodithiol-3-one-1-oxide;NSC-686574;1-oxo-1$l^{4},2-benzodithiol-3-one;NCI60_031238

Chemical Property of 3H-1,2-Benzodithiol-3-one 1-oxide

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 183.96527171
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)SS2=O

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