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Home > Encyclopedia > Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate

Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate

Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate structure

Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate 

structure
  • CAS No:

    956392-54-4

  • Formula:

    C9H9F3N6O2S

  • Chemical Name:

    Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate

  • Synonyms:

    1H-Pyrazole-3-carboxylic acid,1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-,methyl ester;Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate

Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate Basic Attributes

322.26700

322.27

Characteristics

126.15000

1.32480

1.74±0.1g/cm3

457.6±55.0ºC

Computed Properties

Molecular Weight:322.27
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:322.04597921
Monoisotopic Mass:322.04597921
Topological Polar Surface Area:126
Heavy Atom Count:21
Complexity:387
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate

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