thieno[3,4-d]isothiazol-3(2H)-one 1,1-dioxide

Base Information

• Chemical Name: thieno[3,4-d]isothiazol-3(2H)-one 1,1-dioxide
• CAS No.: 59337-79-0
• Molecular Formula: C5H3NO3S2
• Molecular Weight: 189.21200
• Hs Code.: 2934100090
• European Community (EC) Number: 611-819-3
• DSSTox Substance ID: DTXSID10503698

Synonyms:59337-79-0;thieno[3,4-d]isothiazol-3(2H)-one 1,1-dioxide;2H,3H-1Lambda6-thieno[3,4-d][1,2]thiazole-1,1,3-trione;SCHEMBL10545603;DTXSID10503698;RCGMVCCNAAVDBT-UHFFFAOYSA-N;AKOS000276790;AKOS000278176;NCGC00238767-01;1,1-dioxo-thieno[3,4-d]isothiazol-3-one;EN300-703360;thieno[3,4-d]isothiazol-3(2H)-one1,1-dioxide;thieno[3,4-d]isothiazol-3(2H)-one-1,1-dioxide;2,3-dihydro-3-oxothieno-[3,4-d]-isothiazole-1,1-dioxide;1H-1lambda~6~-Thieno[3,4-d][1,2]thiazole-1,1,3(2H)-trione

Chemical Property of thieno[3,4-d]isothiazol-3(2H)-one 1,1-dioxide

Chemical Property:

• Melting Point: 250-252 °C
• PSA: 103.35000
• Density: 1.766±0.06 g/cm3(Predicted)
• LogP: 1.27140
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 188.95543530
• Heavy Atom Count: 11
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CS1)S(=O)(=O)NC2=O

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