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CHEBI:3131 - bithionol

ChEBI IDCHEBI:3131
ChEBI Namebithionol
Stars
DefinitionAn 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 A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H6Cl4O2S
Net Charge0
Average Mass356.057
Monoisotopic Mass353.88426
SMILESOc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
InChIInChI=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
InChIKeyJFIOVJDNOJYLKP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
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.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
fungicide  A substance used to destroy fungal pests.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
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  Source
BithionolKEGG COMPOUND
BithinNIST Chemistry WebBook
2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfideChemIDplus
2,2'-Thiobis(4,6-dichlorophenol)ChEBI
2-Hydroxy-3,5-dichlorophenyl sulfideChemIDplus
Bis(3,5-dichloro-2-hydroxyphenyl) sulfideChemIDplus
Manual XrefsDatabases
C07967KEGG COMPOUND
D00802KEGG DRUG
BithionolWikipedia
DB04813DrugBank
B1TPDBeChem
bithionolAlan Wood's Pesticides
LSM-2862LINCS
3032DrugCentral
2889PPDB
2889VSDB
Registry NumbersSources
Beilstein:2003535Beilstein
CAS:97-18-7KEGG COMPOUND
CAS:97-18-7ChemIDplus
CAS:97-18-7NIST Chemistry WebBook
Citations