2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium

Base Information

• Chemical Name: 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium
• CAS No.: 30457-66-0
• Molecular Formula: C24H26 N2 O3 S3
• Molecular Weight: 486.68
• European Community (EC) Number: 250-208-2
• Mol file: 30457-66-0.mol

Synonyms:EINECS 250-208-2;C24H26N2O3S3;C24-H26-N2-O3-S3;2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium;30457-66-0;2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium

Chemical Property of 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 130.87000
• Density: g/cm³
• LogP: 5.79620
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 486.11055622
• Heavy Atom Count: 32
• Complexity: 795

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCCS(=O)(=O)[O-])C
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C\C(=C\C3=[N+](C4=CC=CC=C4S3)CCCCS(=O)(=O)[O-])\C

Technology Process of 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium

There total 1 articles about 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium 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-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulfonatobutyl)benzothiazolium (30457-66-0,28789-09-5)

Guidance literature:

2-Methyl-3-(4-sulfo-butyl)-benzothiazoliumiodid (Na-Salz), 3-Aethyl-2-(2-methyl-mercapto-propenyl)-benzothiazolium-toluol-4-sulfonat, A./(C2H5)3N/Δ;

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