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Home > Encyclopedia > 5-[3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-YL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL

5-[3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-YL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL

5-[3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-YL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL structure

5-[3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-YL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL 

structure
  • CAS No:

    306937-11-1

  • Formula:

    C23H31N5S

  • Chemical Name:

    5-[3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-YL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL

  • Synonyms:

    5-[3-(tert-Butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-4-cyclohexyl-4H-1,2,4-triazole;5-[3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-YL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL;3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-5-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-2,4-dihydro-

5-[3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-YL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL Basic Attributes

409.59

409.23001718

Characteristics

87.33000

5.58970

1.22±0.1 g/cm3

181 °C

543.5±60.0 °C(Predicted)

282.5ºC

1.652

8.19±0.20

Safety Information

Xi

Computed Properties

Molecular Weight:409.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:409.23001718
Monoisotopic Mass:409.23001718
Topological Polar Surface Area:77.5
Heavy Atom Count:29
Complexity:621
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 5-[3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOL-5-YL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOLE-3-THIOL

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