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Home > Encyclopedia > 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole structure

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole 

structure
  • CAS No:

    477331-50-3

  • Formula:

    C22H16Cl2FN3S

  • Chemical Name:

    3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole

  • Synonyms:

    3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole;477331-50-3;ZINC2508584;STK032602;AKOS002174019;MCULE-6317929615;ST50060367;3-((2-Chloro-6-fluorobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole;3-((2-CL-6-FLUOROBENZYL)THIO)-5-(4-CL-PH)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE;3-[(6-chloro-2-fluorophenyl)methylthio]-5-(4-chlorophenyl)-4-(4-methylphenyl)- 1,2,4-triazole

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole Basic Attributes

444.4 g/mol

443.0426022 g/mol

Characteristics

56 Ų

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:444.4
XLogP3:6.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:443.0426022
Monoisotopic Mass:443.0426022
Topological Polar Surface Area:56
Heavy Atom Count:29
Complexity:514
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole

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