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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione structure

CAS No:
878420-82-7
Formula:
C16H12FN3O2S
Chemical Name:
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Synonyms:
MLS000718603;CHEMBL1488694;SCHEMBL15452432;HMS2664P17;ZINC5903933;STK589538;STK784170;AKOS000585733;AKOS005512109;CCG-276398;MCULE-1543788262;SMR000290872;4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol;4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol;4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;878420-82-7

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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

329.4 g/mol

Exact Mass：

329.06342597 g/mol

Characteristics

PSA：

78.2 Å²

Water Solubility：

43.5 [ug/mL]

Computed Properties

Molecular Weight:329.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:329.06342597
Monoisotopic Mass:329.06342597
Topological Polar Surface Area:78.2
Heavy Atom Count:23
Complexity:496
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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