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ABTS - pH3.5-5.0, high purity , CAS No.28752-68-3

898 Citations

COA

Grade & Purity:

pH3.5-5.0

Cas Number: 28752-68-3
Molecular Weight: 514.6
PubChem CID: 5464076

In stock

Item Number

A276045

Grouped product items
SKU	Size	Availability	Price	Qty
A276045-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$652.90

Peroxidase substrate

Basic Description

Synonyms	ABTS \| 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid \| SCHEMBL13458992 \| (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid \| DTXSID10894755
Specifications & Purity	pH3.5-5.0
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Store at +4°C.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds Benzenoids Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Arylsulfonic acid or derivatives - 1,3-benzothiazole - 1-sulfo,2-unsubstituted aromatic compound - Benzenoid - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Thiazole - Sulfonyl - Organosulfonic acid - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
INCHI	InChI=1S/C18H18N4O6S4/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28)/b19-17-,20-18+
InChIKey	ZTOJFFHGPLIVKC-YAFCTCPESA-N
Smiles	CCN1C2=C(C=C(C=C2)S(=O)(=O)O)SC1=NN=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC
Isomeric SMILES	CCN\1C2=C(C=C(C=C2)S(=O)(=O)O)S/C1=N/N=C\3/N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC
Molecular Weight	514.6
Reaxy-Rn	8134193
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8134193&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
G2417168	Certificate of Analysis	Jul 11, 2024	A276045

Chemical and Physical Properties

Solubility	Supplied in citrate buffer (pH 4; 1.46 mM)
Sensitivity	light sensitive
Molecular Weight	514.600 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	514.011 Da
Monoisotopic Mass	514.011 Da
Topological Polar Surface Area	207.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	910.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

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