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DTNB

CAT: 0931-T15177-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T15177-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69-78-3
Target
Others
Related Pathways
Others
Purity
0.9951
Bioactivity
DTNB (Ellman's Reagent) is used to quantify thiol groups in a sample and measure low-molecular-mass thiols, such as glutathione, in pure solutions and biological samples [such as blood].
Smiles
C(O)(=O)C1=C(N(=O)=O)C=CC(SSC2=CC(C(O)=O)=C(N(=O)=O)C=C2)=C1
Molecular Formula
C14H8N2O8S2
Molecular Weight
396.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,5'-Dithiobis(2-nitrobenzoic Acid)

Dithionitrobenzoic acid is 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. It has a role as an indicator. It is a nitrobenzoic acid and an organic disulfide.

CAS Number69-78-3
PubChem CID6254
IUPAC Name5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
Molecular FormulaC14H8N2O8S2
Molecular Weight396.4
XLogP2.7
Topological Polar Surface Area217
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity528
SMILES
C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]
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
Chemical Structure
2D Structure
2D structure of 5,5'-Dithiobis(2-nitrobenzoic Acid)
CAS: 69-78-3
CID: 6254
Formula: C14H8N2O8S2
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass395.97220756
Monoisotopic Mass395.97220756
Topological Polar Surface Area217 Ų
Heavy Atom Count26
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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