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Home > Encyclopedia > 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure

2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid 

structure
  • CAS No:

    132895-42-2

  • Formula:

    C11H11N3O2S

  • Chemical Name:

    2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

  • Synonyms:

    NSC625811;2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;132895-42-2;2-([5-(4-Methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl)acetic acid;CHEMBL2002786;SCHEMBL11887741;ZINC873891;SBB040587;STL507958;AKOS000268780;CCG-296784;MCULE-1024907258;NE41027;NSC-625811;NCI60_008096;AG-690/13508068;Z55903895;(5-p-Tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid;(5-p-Tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid;2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;((5-(4-Methylphenyl)-1H-1,2,4-triazol-3-yl)thio)acetic acid;2-[5-(4-methylphenyl)-4H-1,2,4-triazol-3-ylthio]acetic acid

2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Basic Attributes

249.29 g/mol

249.05719778 g/mol

625811

Characteristics

104 Ų

1.9568

149.5 - 150.5 °C

Computed Properties

Molecular Weight:249.29
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:249.05719778
Monoisotopic Mass:249.05719778
Topological Polar Surface Area:104
Heavy Atom Count:17
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

1
132895-43-3 molecular formula picture

132895-43-3

=
Guide of 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

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