2(3H)-Benzothiazolethione,6-ethyl-(9CI)

Base Information

• Chemical Name: 2(3H)-Benzothiazolethione,6-ethyl-(9CI)
• CAS No.: 21224-17-9
• Molecular Formula: C₉H₉NS₂
• Molecular Weight: 195.309
• Hs Code.: 2934999090
• Mol file: 21224-17-9.mol

Synonyms:2-Benzothiazolinethione,6-ethyl- (8CI)

Chemical Property of 2(3H)-Benzothiazolethione,6-ethyl-(9CI)

Chemical Property:

• Boiling Point: 331.6±35.0 °C(Predicted)
• PKA: 9.83±0.20(Predicted)
• PSA: 79.93000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 3.14740

Purity/Quality:

99% ^*data from raw suppliers

6-ETHYL-2(3H)-BENZOTHIAZOLETHIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2(3H)-Benzothiazolethione,6-ethyl-(9CI)

There total 3 articles about 2(3H)-Benzothiazolethione,6-ethyl-(9CI) 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:

carbon disulfide (75-15-0,12122-00-8) + 4-ethyl-2-iodoaniline (280773-47-9) → 6-ethyl-3H-benzothiazole-2-thione (21224-17-9)

Guidance literature:

With tetramethylammonium bromide; caesium carbonate; In dimethyl sulfoxide; at 100 ℃; for 11.5h; Inert atmosphere;

DOI:10.1080/17415993.2020.1803321

Reference yield:

N-(4-Ethylphenyl)thiourea (22265-78-7) → 6-ethyl-3H-benzothiazole-2-thione (21224-17-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SO₂Cl₂ / chlorobenzene / 2 h / 70 °C

2: (i) aq. KOH, (ii) /BRN= 1098293/

With sulfuryl dichloride; In chlorobenzene;

DOI:10.1021/jm00301a008

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 2-amino-6-ethylbenzo[d]thiazole (21224-16-8) → 6-ethyl-3H-benzothiazole-2-thione (21224-17-9)

Guidance literature:

Multistep reaction; (i) aq. KOH, (ii) /BRN= 1098293/;

DOI:10.1021/jm00301a008

upstream raw materials:

carbon disulfide

2-amino-6-ethylbenzo[d]thiazole

N-(4-Ethylphenyl)thiourea

4-ethyl-2-iodoaniline

Refernces

• 1、 Garmaise,Paris,Komlossy,Chambers,McCrae. "Anthelmintic quaternary salts. 3. Benzothiazolium salts.". . p. 30 - 36. Retrieved 2007/10/04.