3-(4-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole

Base Information

• Chemical Name: 3-(4-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole
• CAS No.: 116850-63-6
• Molecular Formula: C10H10 F N3 S
• Molecular Weight: 223.2699
• DSSTox Substance ID: DTXSID90151550
• Nikkaji Number: J577.072F
• Wikidata: Q83018024
• ChEMBL ID: CHEMBL27785
• Mol file: 116850-63-6.mol

Synonyms:116850-63-6;3-(4-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole;4H-1,2,4-Triazole, 3-(4-fluorophenyl)-4-methyl-5-(methylthio)-;CHEMBL27785;SCHEMBL1544564;DTXSID90151550;AKOS017020559;LS-156015;Z24194977;3-(4-fluorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole;3-(Methylthio)-4-methyl-5-(4-fluorophenyl)-4H-1,2,4-triazole

Chemical Property of 3-(4-Fluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 4.78E-06mmHg at 25°C
• Boiling Point: 382.3°C at 760 mmHg
• Flash Point: 185°C
• Density: 1.29g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.05794667
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=C1SC)C2=CC=C(C=C2)F

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