6-tert-butyl-7-chloro-3-(3-dodecylsulfonylpropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

Base Information

• Chemical Name: 6-tert-butyl-7-chloro-3-(3-dodecylsulfonylpropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
• CAS No.: 124351-77-5
• Molecular Formula: C23H41 Cl N4 O2 S
• Molecular Weight: 473.12
• DSSTox Substance ID: DTXSID201335222
• Nikkaji Number: J1.056.224D

Synonyms:124351-77-5;SCHEMBL6546542;MIWLQPRSEPDVJT-UHFFFAOYSA-N;NIEWZBKQVKRCLD-UHFFFAOYSA-N;DTXSID201335222;6-tert-Butyl-7-chloro-3-[3-(dodecylsulfonyl)propyl]-1H-pyrazolo[5,1-c][1,2,4]triazole

Chemical Property of 6-tert-butyl-7-chloro-3-(3-dodecylsulfonylpropyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

Chemical Property:

• Refractive Index: 1.563
• PSA: 88.50000
• Density: 1.17g/cm³
• LogP: 7.35740
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 472.2638754
• Heavy Atom Count: 31
• Complexity: 606

Purity/Quality:

99.0.% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCS(=O)(=O)CCCC1=NN=C2N1NC(=C2Cl)C(C)(C)C

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