ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate
• CAS No.: 51986-04-0
• Molecular Formula: C10H14N2O5S
• Molecular Weight: 274.29
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90966303
• Nikkaji Number: J279.409H
• Mol file: 51986-04-0.mol

Synonyms:ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate;Ethyl 5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylateS,S-dioxide;DTXSID90966303;AKOS015906020;A828872;Ethyl 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate

Chemical Property of ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 1.38E-09mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 485.7 °C at 760 mmHg
• Flash Point: 247.6 °C
• PSA: 106.87000
• Density: 1.469 g/cm³
• LogP: 1.20580
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 274.06234272
• Heavy Atom Count: 18
• Complexity: 505

Purity/Quality:

98% min ^*data from raw suppliers

Ethyl1-(1,1-dioxidotetrahydrothiophen-2-yl)-5-hydroxy-1H-pyrazole-3-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=O)N(N1)C2CCS(=O)(=O)C2