4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-thione
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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-thione
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CAS No:
879466-51-0
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Formula:
C16H13N3O4S
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Chemical Name:
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-thione
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Synonyms:
SMR000221480;MLS000332001;4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-benzene-1,3-diol;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone;CHEMBL1503513;BDBM46395;CHEBI:116651;cid_12004629;HMS2548H22;STK595734;STK784166;ZINC18059248;AKOS005517617;AKOS032394700;MCULE-9902129784;Q27200956;4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-thione;(4E)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone;(4E)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one;(4E)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one;(4E)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one;4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,4-dihydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)benzene-1,3-diol;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1,3-diol;879466-51-0
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CAS No:
Description
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone is a benzodioxine.
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-thione Basic Attributes
343.4 g/mol
343.06267708 g/mol
Computed Properties
Molecular Weight:343.4
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:343.06267708
Monoisotopic Mass:343.06267708
Topological Polar Surface Area:119
Heavy Atom Count:24
Complexity:532
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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