2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid

Base Information

• Chemical Name: 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
• CAS No.: 28752-68-3
• Molecular Formula: C18H18N4O6S4
• Molecular Weight: 514.628
• DSSTox Substance ID: DTXSID10894755
• Wikipedia: ABTS
• Mol file: 28752-68-3.mol

Synonyms:2,2'-azino-di-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt;2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid;2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, diammonium salt;2,2'-azinobis(3-ethylbenzothiazoline)-6-sulfonic acid;2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid);ABTS;diammonium-2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate)

Chemical Property of 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid

Chemical Property:

• Vapor Pressure: 2.97E-33mmHg at 25°C
• Boiling Point: 881.2°C at 760 mmHg
• Flash Point: 486.7°C
• PSA: 216.56000
• Density: 1.7 g/cm³
• LogP: 4.83040
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 514.01091900
• Heavy Atom Count: 32
• Complexity: 910

Purity/Quality:

99%, ^*data from raw suppliers

2,2'-AZINO-DI-(3-ETHYLBENZOTHIAZOLINE)-6-SULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Rings
• Canonical 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

Technology Process of 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid

There total 2 articles about 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,2'-azinobis(3-ethylbenzthiazolinesulfonate) (28752-68-3) + 1,5-Dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one (60-80-0) → antipyrine (60-80-0) + C18H18N4O6S4(1+) (28752-68-3)

Guidance literature:

Rate constant;

DOI:10.1039/P29880001579

Reference yield:

aminopyrine (58-15-1) + C18H18N4O6S4(1+) (28752-68-3) → 2,2'-azinobis(3-ethylbenzthiazolinesulfonate) (28752-68-3) + aminopyrine radical cation (58-15-1)

Guidance literature:

Rate constant; pH 6;

DOI:10.1039/P29880001579

Reference yield:

2,2'-azinobis(3-ethylbenzthiazolinesulfonate) (28752-68-3) + 1,5-Dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one (60-80-0) → antipyrine (60-80-0) + C18H18N4O6S4(1+) (28752-68-3)

Guidance literature:

Rate constant;

DOI:10.1039/P29880001579

upstream raw materials:

aminopyrine

1,5-Dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

Downstream raw materials:

antipyrine

aminopyrine radical cation

Refernces