CAS 30931-67-0 6-benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt (HCID 9570474)

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Basic information

CAS: 30931-67-0
Standard SMILES: CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)[O-])ccc3n2CC)sc2cc(S(=O)(=O)[O-])ccc21.[NH4+].[NH4+]
InChIKey: OHDRQQURAXLVGJ-AXMZSLBLSA-N
Molecular formula: C18H24N6O6S4
Average molar mass: 548.7 g/mol
Monoisotopic mass: 548.06401649

Names & identifiers

Preferred name: 6-benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt
IUPAC: diazanium;(2Z)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate
English name: ABTS
Molecular formula: C18H24N6O6S4
Molecular weight: 548.68

Names & synonyms

Diammonium 2,2'-azinobis(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate)6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium saltDiammonium 2,2'-azinobis[3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate]6-Benzothiazolesulfonic acid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium saltRefChem:540439250-396-630931-67-0ABTS diammonium salt6-BENZOTHIAZOLINESULFONIC ACID, 2,2'-AZINOBIS(3-ETHYL-, AMMONIUM SALT (1:2)Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate)ABTS (ammonium salt)2,2'-Azinobis(3-ethylbenzthiazoline-6-sulfonate) diammonium salt

Show more names

ABTSAzBTS-(NH4)2diammonium saltABTS-(NH4)22,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid)ABTSABTS(TM)

EINECS 250-396-62,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt2,2'-Azino-di(3-ethyl-benzthiazoline sulphonic acid (6)), ammonium salt2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt)DTXSID5013512716-Benzothiazolesulfonic acid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro-, ammonium salt (1:2)AKOS024319622NS00127346

Properties

Computed structural properties

Topological polar surface area: 215 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 3
Heavy atoms: 34
Formal charge: 0
Complexity: 883

Physicochemical properties

Melting point: 181 oC · >181oC (dec.)
storage temp.: 2 · 2-8°C
solubility: 2 O: · H2O: 50 mg/mL, very slightly hazy, green
form: tablet
color: Pale Green to Light Green
PH: pH(50g/l, 25℃) : 5.0～6.0
Water Solubility: 50 mg/ml · Dissolve in water at 50mg/ml. Solution may be slightly hazy.
Sensitive: Light Sensitive
BRN: 7329461 · 7329461
Stability: Hygroscopic, Light Sensitive
InChIKey: OHDRQQURAXLVGJ-AXMZSLBLSA-N
SMILES: C12C=CC(S(=O)(=O)O)=CC=1S/C(=N\N=C1/SC3C=C(S(=O)(=O)O)C=CC=3N/1CC)/N2CC.N.N
CAS DataBase Reference: 30931 · 30931-67-0(CAS DataBase Reference)
UNSPSC Code: 41116133 · 41116133
NACRES: 83 · NA.83
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

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%)

Safety data

F: 8-10-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: DL7002000
hs_code: 29342080
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 4 items

UsesChromogenic substrate for peroxidase assays.2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) diammonium salt is widely utilized as a peroxidase substrate suitable for use in enzyme-linked immunosorbent assay (ELISA) procedures. It plays an important role in the food industry to measure the antioxidant capacities of foods. It is used to observe the reaction kinetics of specific enzymes and involved in glucose estimating reagent in blood serum.

UsesDiammonium-2,2’Azino-bis(3-ethylbenzothiazoline-6-sulfonate) has been shown to inhibit catalase, a mammalian antioxidant enzyme which degrades hydrogen peroxide into water and oxygen species.

Uses2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt, ABTS, has been used as a substrate in ELISA (enzyme-linked immunosorbent assay).ABTS is also used to measure glucose concentrations in different solutions including blood serum.The food industry uses ABTS to measure the antioxidant capacities within different foods. Since it is less readily oxidized than TMB and OPD substrates, ABTS is less sensitive for ELISA applications. Thus ABTS has some advantageous over TMB and OPD in cases of large background results It is recommended for ELISA (microwell) procedures, not recommended for membrane applications.

General DescriptionABTS, 2,2′-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid), is water soluble chemical compound used as chromogenic substrate:ABTS together with hydrogen peroxide for reaction with peroxidase enzymes (like HRP for example).ABTS together with laccase or bilirubin oxidase. ABTS mainly used in ELISA (enzyme-linked immunosorbent assay) procedures.A peroxidase reaction of ABTS in the presence of hydrogen peroxide produces a green soluble end product which can be read spectrophotometrically at 405nm. The reaction may be stopped with 1% sodium dodecyl sulfate (SDS). ABTS, 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt is light sensitive.