3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-

Base Information

• Chemical Name: 3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-
• CAS No.: 70616-72-7
• Molecular Formula: C12H14 N2 O7 S2
• Molecular Weight: 362.37876
• DSSTox Substance ID: DTXSID50557034
• Nikkaji Number: J25.336G
• Mol file: 70616-72-7.mol

Synonyms:70616-72-7;3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-;2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]sulfonylethyl hydrogen sulfate;2-((4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethyl hydrogen sulfate;DTXSID50557034;2-[4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonyl]ethyl hydrogen sulfate

Chemical Property of 3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-

Chemical Property:

• PKA: -3.83±0.18(Predicted)
• PSA: 147.17000
• Density: 1.60±0.1 g/cm3(Predicted)
• LogP: 2.05450
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 362.02424314
• Heavy Atom Count: 23
• Complexity: 680

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O