Benzisothiazole sulphoxide

Base Information

• Chemical Name: Benzisothiazole sulphoxide
• CAS No.: 128396-56-5
• Molecular Formula: C₁₁H₁₃N₃OS
• Molecular Weight: 235.31
• UNII: S2229N6UPJ
• ChEMBL ID: CHEMBL1155
• DSSTox Substance ID: DTXSID50577010
• Nikkaji Number: J448.834B
• Wikidata: Q27288473

Synonyms:Benzisothiazole sulphoxide;128396-56-5;Bitp-SO;Ziprasidone (m2);1,2-Benzisothiazole, 3-(1-piperazinyl)-, 1-oxide;3-piperazin-1-yl-1,2-benzothiazole 1-oxide;Benzisothiazole (bitp) sulphoxide;BMY-40729;ID-15002;S2229N6UPJ;3-(piperazin-1-yl)benzo[d]isothiazole 1-oxide;UNII-S2229N6UPJ;starbld0015482;CHEMBL1155;SCHEMBL9596339;DTXSID50577010;Q27288473;3-(Piperazin-1-yl)-1H-1lambda~4~,2-benzothiazol-1-one

Chemical Property of Benzisothiazole sulphoxide

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 235.07793322
• Heavy Atom Count: 16
• Complexity: 325

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NS(=O)C3=CC=CC=C32

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