5,6,7,8-Tetrahydro-1lambda~6~-cyclohepta[d][1,2]thiazole-1,1,3(2H,4H)-trione

Base Information

• Chemical Name: 5,6,7,8-Tetrahydro-1lambda~6~-cyclohepta[d][1,2]thiazole-1,1,3(2H,4H)-trione
• CAS No.: 95117-72-9
• Molecular Formula: C₈H₁₁NO₃S
• Molecular Weight: 201.246
• DSSTox Substance ID: DTXSID40538615
• Nikkaji Number: J811.597D
• Wikidata: Q82414065

Synonyms:95117-72-9;DTXSID40538615;5,6,7,8-Tetrahydro-2H-cyclohepta[d]isothiazol-3(4H)-one 1,1-dioxide;5,6,7,8-Tetrahydro-1lambda~6~-cyclohepta[d][1,2]thiazole-1,1,3(2H,4H)-trione

Chemical Property of 5,6,7,8-Tetrahydro-1lambda~6~-cyclohepta[d][1,2]thiazole-1,1,3(2H,4H)-trione

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 375

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(CC1)S(=O)(=O)NC2=O

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