bithionol (CHEBI:3131)

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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 A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.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.

Supplier Information	ChemicalBook:CB2395104, eMolecules:592473, Selleckchem:Nitrendipine

Download	Molfile XML SDF

Wikipedia	License
2,4-Dichlorophenol (2,4-DCP) is a chlorinated derivative of phenol with the molecular formula Cl2C6H3OH. It is a white solid that is mildly acidic (pKa = 7.9). It is produced on a large scale as a precursor to the herbicide 2,4-dichlorophenoxyacetic acid (2,4-D).
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Formula

C12H6Cl4O2S

Net Charge

Average Mass

356.05164

Monoisotopic Mass

353.88426

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 )

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

Last Modified

22 February 2017