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3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione

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

CAS No:
879429-59-1
Formula:
C15H16FN5S
Chemical Name:
3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Synonyms:
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol;MLS000763314;CHEMBL1572168;REGID_for_CID_2033202;HMS2804G12;ZINC9010147;STK781836;STK850037;AKOS001732495;AKOS005628873;MCULE-8694435422;SMR000439857;5-(5-tert-Butyl-2H-pyrazol-3-yl)-4-(2-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol;5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;879429-59-1

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

Molecular Weight：

317.4 g/mol

Exact Mass：

317.11104487 g/mol

Characteristics

PSA：

88.4 Å²

Water Solubility：

33 [ug/mL]

Computed Properties

Molecular Weight:317.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:317.11104487
Monoisotopic Mass:317.11104487
Topological Polar Surface Area:88.4
Heavy Atom Count:22
Complexity:475
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium valproate; 1-pentanol; chloromethane; isopropyl ether; formaldehyde structure; denatonium benzoate

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

Basic Attributes
Characteristics
Computed Properties

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