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4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione

4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione structure

CAS No:
879456-96-9
Formula:
C14H11ClFN5S
Chemical Name:
4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Synonyms:
MLS000775981;CHEMBL1483345;HMS2803K17;ZINC5903133;STK588098;AKOS005511005;AKOS032394456;MCULE-2041607432;SMR000439987;4-(3-Chloro-4-fluoro-phenyl)-5-(5-cyclopropyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol;4-(3-chloro-4-fluorophenyl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;879456-96-9

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4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

335.8 g/mol

Exact Mass：

335.0407724 g/mol

Characteristics

PSA：

88.4 Å²

Water Solubility：

33.6 [ug/mL]

Computed Properties

Molecular Weight:335.8
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:335.0407724
Monoisotopic Mass:335.0407724
Topological Polar Surface Area:88.4
Heavy Atom Count:22
Complexity:500
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-chloro-4-fluorophenyl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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