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Home > Encyclopedia > 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone

2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone

2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone structure

2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone 

structure
  • CAS No:

    738604-79-0

  • Formula:

    C21H15BrN4OS

  • Chemical Name:

    2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone

  • Synonyms:

    738604-79-0;ZINC2262707;STL338759;AKOS022137048;MCULE-3576803564;2-((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-PHENYLETHANONE;2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone;2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Basic Attributes

451.3 g/mol

450.01499 g/mol

Characteristics

86 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:451.3
XLogP3:4.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:450.01499
Monoisotopic Mass:450.01499
Topological Polar Surface Area:86
Heavy Atom Count:28
Complexity:511
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone

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