MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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bithionol

	Properties	Image
MNX_ID	MNXM44468
reference	chebi:3131
formula	C₁₂H₆Cl₄O₂S
global charge	0
mol weight	356.057
InChIKey	JFIOVJDNOJYLKP-UHFFFAOYSA-N
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
SMILES	OC1=C(Cl)C=C(Cl)C=C1SC1=C(O)C(Cl)=CC(Cl)=C1

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH:1]1=[C:5]([Cl:13])[CH:3]=[C:9]([S:19][C:10]2=[CH:4][C:6]([Cl:14])=[CH:2][C:8]([Cl:16])=[C:12]2[OH:18])[C:11]([OH:17])=[C:7]1[Cl:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3131 chebi:3131 JFIOVJDNOJYLKP-UHFFFAOYSA-N	bithionol 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide 2,2'-Thiobis(4,6-dichlorophenol) 2,2'-sulfanediylbis(4,6-dichlorophenol) 2-Hydroxy-3,5-dichlorophenyl sulfide Bis(3,5-dichloro-2-hydroxyphenyl) sulfide Bithin Bithionol Bithionol sulfide
seed.compound:cpd04988 seedM:cpd04988 kegg.compound:C07967 keggC:C07967 JFIOVJDNOJYLKP-UHFFFAOYSA-L JFIOVJDNOJYLKP-UHFFFAOYSA-N	Bithionol
kegg.drug:D00802 keggD:D00802 JFIOVJDNOJYLKP-UHFFFAOYSA-N	Bithionol (JAN/INN) Bithin (TN)
hmdb:HMDB0249278 JFIOVJDNOJYLKP-UHFFFAOYSA-N	Bithionol 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulphide 2,2'-Thiobis(4,6-dichlorophenol) 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)sulfanyl]phenol 2-Hydroxy-3,5-dichlorophenyl sulfide 2-Hydroxy-3,5-dichlorophenyl sulphide Bis(3,5-dichloro-2-hydroxyphenyl) sulfide Bis(3,5-dichloro-2-hydroxyphenyl) sulphide Bithin Bithionol sulfide Bithionol sulphide Bitin bitin
keggC:M_C07967 keggD:M_D00802 seedM:M_cpd04988	secondary/obsolete/fantasy identifier