3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione
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3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione
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CAS No:
838885-22-6
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Formula:
C15H9ClFN3O2S
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Chemical Name:
3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione
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Synonyms:
3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione;MLS000331928;SMR000221361;5-Benzo[1,3]dioxol-5-yl-4-(3-chloro-4-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol;CHEMBL1506134;cid_1839039;CHEBI:114405;BDBM114505;HMS2584L11;ZINC5804457;STK782976;STK851619;AKOS005630555;AKOS024289456;CCG-313973;MCULE-2203778862;Q27195806;3-(1,3-benzodioxol-5-yl)-4-(3-chloranyl-4-fluoranyl-phenyl)-1H-1,2,4-triazole-5-thione;3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluoro-phenyl)-1H-1,2,4-triazole-5-thione;5-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-4H-1,2,4-triazole-3-thiol;5-(benzo[d][1,3]dioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-4H-1,2,4-triazole-3-thiol;5-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;838885-22-6
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CAS No:
Description
3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione is a member of triazoles.
3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione Basic Attributes
349.8 g/mol
349.0088036 g/mol
Computed Properties
Molecular Weight:349.8
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:349.0088036
Monoisotopic Mass:349.0088036
Topological Polar Surface Area:78.2
Heavy Atom Count:23
Complexity:523
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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