3-Ethylbenzothiazolium iodide

Base Information

• Chemical Name: 3-Ethylbenzothiazolium iodide
• CAS No.: 3119-94-6
• Molecular Formula: C9H10 N S . I
• Molecular Weight: 291.156
• European Community (EC) Number: 221-495-1
• NSC Number: 126831
• DSSTox Substance ID: DTXSID60883952
• Mol file: 3119-94-6.mol

Synonyms:3-Ethylbenzothiazolium iodide;3119-94-6;Benzothiazolium ethiodide;3-ethyl-1,3-benzothiazol-3-ium;iodide;Benzothiazolium, 3-ethyl-, iodide;Benzothiazolium, 3-ethyl-, iodide (1:1);C9H10NS.I;SCHEMBL3292667;DTXSID60883952;C9-H10-N-S.I;EINECS 221-495-1;NSC126831;AKOS003623959;NSC 126831;NSC-126831

Chemical Property of 3-Ethylbenzothiazolium iodide

Chemical Property:

• Melting Point: 138-139 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 32.12000
• Density: g/cm³
• LogP: -0.78730
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 290.95787
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC[N+]1=CSC2=CC=CC=C21.[I-]

Technology Process of 3-Ethylbenzothiazolium iodide

There total 3 articles about 3-Ethylbenzothiazolium iodide 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: 75.0%

1,3-Benzothiazole (95-16-9) + ethyl iodide (75-03-6) → 3-ethylbenzothiazolinium iodide (3119-94-6)

Guidance literature:

at 50 - 60 ℃; for 4h; Neat (no solvent);

DOI:10.3998/ark.5550190.0011.703

Reference yield:

bis(N-ethylbenzothiazol-2-ylidene) (16407-47-9) → 3-ethylbenzothiazolinium iodide (3119-94-6)

Guidance literature:

With hydrogen iodide;

Reference yield:

→ 3-ethylbenzothiazolinium iodide (3119-94-6)

Guidance literature:

Benzothiazol, Ethyljodid;

DOI:10.1021/je60075a022

upstream raw materials:

1,3-Benzothiazole

ethyl iodide

bis(N-ethylbenzothiazol-2-ylidene)

Downstream raw materials:

(E)-3-{(E)-3-[(Z)-2-(3-ethyllbenzo[d]thiazol-2(3H)-ylidene)ethylidene]-2-(pyrimidin-2-ylthio)cyclopent-1-enyl}-1-(naphthalen-2-yl)prop-2-en-1-one

C₃₉H₃₆N₂O₂S₂

3-ethyl-2-phenylbenzothiazoline

Refernces

• 1、 Nadeem, Sohail,Munawar, Munawar A.,Ahmad, Saeed,Smiglak, Marcin,Drab, David M.,Malik, Khizar I.,Amjad, Rana,Ashraf, Chaudhry M.,Rogers, Robin D.. "Solvent-free synthesis of benzothiazole-based quaternary ammonium salts: Precursors to ionic liquids". experimental part. p. 19 - 37. Retrieved 2010/09/06.