4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-

Base Information

• Chemical Name: 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-
• CAS No.: 116850-59-0
• Molecular Formula: C14H13 N3 O2 S
• Molecular Weight: 287.3369
• DSSTox Substance ID: DTXSID60151547
• Wikidata: Q83018019
• Mol file: 116850-59-0.mol

Synonyms:116850-59-0;4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-;4-Methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-4H-1,2,4-triazole;4-Methyl-3-(methylsulfonyl)-5-(naphthalen-2-yl)-4H-1,2,4-triazole;SCHEMBL9224169;DTXSID60151547;LS-156069

Chemical Property of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-

Chemical Property:

• Vapor Pressure: 1E-11mmHg at 25°C
• Boiling Point: 539.9°C at 760 mmHg
• Flash Point: 280.3°C
• PSA: 73.23000
• Density: 1.36g/cm³
• LogP: 3.11960
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 287.07284784
• Heavy Atom Count: 20
• Complexity: 448

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=C1S(=O)(=O)C)C2=CC3=CC=CC=C3C=C2

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