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Home > Encyclopedia > 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide

4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide

4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide structure

4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide 

structure
  • CAS No:

    665013-76-3

  • Formula:

    C9H9BrN4S

  • Chemical Name:

    4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide

  • Synonyms:

    NDM-1 inhibitor-2;4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide;665013-76-3;4-[(3-Bromobenzyl)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione;MLS001181039;CHEMBL1736112;HMS1590C10;HMS2804D16;ZINC5996158;AKOS003215606

4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide Basic Attributes

285.16356

283.973

Characteristics

71.8

1.9

25.9 [ug/mL]

Computed Properties

Molecular Weight:285.17
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:283.97313
Monoisotopic Mass:283.97313
Topological Polar Surface Area:71.8
Heavy Atom Count:15
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-[(3-bromobenzyl)amino]-4H-1,2,4-triazol-3-yl hydrosulfide

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