CHEBI:86228 - dithionitrobenzoic acid

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ChEBI Name dithionitrobenzoic acid
ChEBI ID CHEBI:86228
Definition An organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H8N2O8S2
Net Charge 0
Average Mass 396.35200
Monoisotopic Mass 395.972
InChI InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKey KIUMMUBSPKGMOY-UHFFFAOYSA-N
SMILES OC(=O)c1cc(SSc2ccc(c(c2)C(O)=O)[N+]([O-])=O)ccc1[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): indicator
Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc.
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ChEBI Ontology
Outgoing dithionitrobenzoic acid (CHEBI:86228) has role indicator (CHEBI:47867)
dithionitrobenzoic acid (CHEBI:86228) is a nitrobenzoic acid (CHEBI:25553)
dithionitrobenzoic acid (CHEBI:86228) is a organic disulfide (CHEBI:35489)
IUPAC Name
3,3'-disulfanediylbis(6-nitrobenzoic acid)
Synonyms Sources
2,2'-Dinitro-5,5'-dithiodibenzoesäure ChemIDplus
2,2'-Dinitro-5,5'-dithiodibenzoic acid ChemIDplus
3,3'-Dithiobis(6-nitrobenzoic acid) ChemIDplus
5,5'-dithiobis(2-nitrobenzoic acid) ChEBI
5-(3-carboxy-4-nitro-phenyl)disulfanyl-2-nitrobenzoic acid MetaCyc
Dithiobisnitrobenzoic acid ChemIDplus
DTNB ChemIDplus
Ellman's reagent ChEBI
Manual Xrefs Databases
DITHIO-NITROBENZOATE MetaCyc
Ellman's_reagent Wikipedia
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Registry Numbers Types Sources
1896821 Reaxys Registry Number Reaxys
69-78-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25512332 PubMed citation Europe PMC
25574855 PubMed citation Europe PMC
25725518 PubMed citation Europe PMC
25838867 PubMed citation Europe PMC
Last Modified
29 June 2015