CHEBI:3131 - bithionol

Main ChEBI Ontology Automatic Xrefs
ChEBI Name bithionol
ChEBI ID CHEBI:3131
Definition An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H6Cl4O2S
Net Charge 0
Average Mass 356.05164
InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKey JFIOVJDNOJYLKP-UHFFFAOYSA-N
SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Roles Classification
Biological Role(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via bridged diphenyl fungicide )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via bridged diphenyl antifungal agent )
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via bridged diphenyl antifungal drug )
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
antiplatyhelmintic drug
An agent used to treat cestode, trematode, or other flatworm infestations in man or animals.
fungicide
A substance used to destroy fungal pests.
(via bridged diphenyl fungicide )
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organochlorine pesticide )
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via bridged diphenyl antifungal drug )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bithionol (CHEBI:3131) has role antifungal agrochemical (CHEBI:86328)
bithionol (CHEBI:3131) has role antiplatyhelmintic drug (CHEBI:35684)
bithionol (CHEBI:3131) is a aryl sulfide (CHEBI:35683)
bithionol (CHEBI:3131) is a bridged diphenyl antifungal drug (CHEBI:87110)
bithionol (CHEBI:3131) is a bridged diphenyl fungicide (CHEBI:87039)
bithionol (CHEBI:3131) is a dichlorobenzene (CHEBI:23697)
bithionol (CHEBI:3131) is a organochlorine pesticide (CHEBI:38656)
bithionol (CHEBI:3131) is a polyphenol (CHEBI:26195)
IUPAC Name
2,2'-sulfanediylbis(4,6-dichlorophenol)
Synonyms Sources
2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide ChemIDplus
2,2'-Thiobis(4,6-dichlorophenol) ChEBI
2-Hydroxy-3,5-dichlorophenyl sulfide ChemIDplus
Bis(3,5-dichloro-2-hydroxyphenyl) sulfide ChemIDplus
Bithin NIST Chemistry WebBook
Bithionol KEGG COMPOUND
Bithionol sulfide ChemIDplus
Database Links Databases
B1T PDBeChem
bithionol Alan Wood's Pesticides
Bithionol Wikipedia
C07967 KEGG COMPOUND
D00802 KEGG DRUG
DB04813 DrugBank
View more database links
Registry Numbers Types Sources
2003535 Beilstein Registry Number Beilstein
97-18-7 CAS Registry Number KEGG COMPOUND
97-18-7 CAS Registry Number NIST Chemistry WebBook
97-18-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17129675 PubMed citation CiteXplore
24495391 PubMed citation CiteXplore
Last Modified
23 July 2015