Abts

HCID 35688

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 28752-68-3
Standard SMILES: CCn1c(=NN=c2sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21
InChIKey: ZTOJFFHGPLIVKC-UHFFFAOYSA-N
Molecular formula: C18H18N4O6S4
Average molar mass: 514.6 g/mol
Monoisotopic mass: 514.010919

Names & identifiers

Preferred name: Abts
IUPAC: 3-ethyl-2-[(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
English name: 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
Molecular formula: C18H18N4O6S4
Molecular weight: 514.62

Names & synonyms

ABTS28752-68-3RefChem:10751452,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid)30931-67-0SCHEMBL63297SCHEMBL7915441DTXSID60865571ZTOJFFHGPLIVKC-UHFFFAOYSA-N2,2'-Hydrazinediylidenebis(3-ethyl-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid)2,2 inverted exclamation marka-(1,2-Hydrazinediylidene)bis[3-ethyl-2,3-dihydro-6-benzothiazolesulfonic acid]2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonate)

Show more names

ABTS, Peroxidase substrate2,2'-Azinobis(3-ethylbenzothiazole-6-sulfonic acid)2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid2,2'-Azinobis(3-ethyl-2,3-dihydrobenzothiazole-6-sulfonic acid)2,2'-Azinobis(3-ethyl-2,3-dihydro-6-benzothiazolesulfonic acid)2,2'-Azinobis[(2,3-dihydro-3-ethylbenzothiazole)-6-sulfonic acid]6-Benzothiazolesulfonicacid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro-(2Z)-3-ethyl-2-[(2E)-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazono]-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid

Database identifiers

CAS: 28752-68-3
PubChem CID: 35688
DTXSID: DTXSID60865571

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 207 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 910

Physicochemical properties

form: solution
color: clearvery pale yellow
UNSPSC Code: 41116133 · 41116133
NACRES: 41 · NA.41
WGK Germany: 2 · WGK 2
Storage Class: 12 · 12 - Non Combustible Liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information6-Benzothiazolesulfonic acid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Regulatory information

Regulatory Information6-Benzothiazolesulfonic acid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk: WGK 2
Storage Class: 12 - Non Combustible Liquids

Chemistry & industry

Uses & manufacturing

UsesChromogen in glucose oxidase-peroxidase method for determining serum glucose. [ChemIDplus]

Applications · 1 item

UsesPeroxidase substrate that is soluble, safe, convenient and has good overall performance in ELISA. ABTS™ Chromophore develops intense blue-green color that can be measured at 405 nm to 410 nm. May be used for both kinetic and endpoint reactions.Single component peroxidase substrate which is soluble, safe, convenient and has good overall performance for ELISA. In the presence of horseradish peroxidase (HRP) and hydrogen peroxide, ABTS is oxidized to an intense blue-green, water-soluble product. This product is a radical cation having an absorption maximum at 416 nm. Typically, product formation is measured spectrophotometrically at 405 nm, allowing a quantitative analysis of HRP-based systems. The color formation as a function of time may be monitored, or the reaction may be stopped by the addition of acid; since the acid does not alter the absorbance at 405 nm, one may perform both kinetic and endpoint measurements at the same wavelength.