benzothiazole-2(3H)-thione, potassium salt

Base Information

• Chemical Name: benzothiazole-2(3H)-thione, potassium salt
• CAS No.: 7778-70-3
• Molecular Formula: C7H5 N S2 . K
• Molecular Weight: 205.346
• Mol file: 7778-70-3.mol

Synonyms:2(3H)-Benzothiazolethione,potassium salt (9CI); 2-Benzothiazolethiol, potassium salt (8CI); Potassium,(2-benzothiazolylthio)- (7CI); 2-Mercaptobenzothiazole potassium salt;Potassium 2-mercaptobenzothiazolate; Potassium 2-mercaptobenzothiazole

Chemical Property of benzothiazole-2(3H)-thione, potassium salt

Chemical Property:

• Vapor Pressure: 0.00611mmHg at 25°C
• Melting Point: 180.2-181.7oC
• Boiling Point: 281.3°C at 760 mmHg
• Flash Point: 123.9°C
• PSA: 76.12000
• LogP: 2.95890

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of benzothiazole-2(3H)-thione, potassium salt

There total 4 articles about benzothiazole-2(3H)-thione, potassium salt 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-(benzothiazol-2-ylthio)propan-2-one (23385-34-4) → potassium 2-mercaptobenzothiazolate (7778-70-3)

Guidance literature:

With phenyl isothiocyanate; potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 8h;

DOI:10.1002/jhet.1693

Reference yield:

ethanol (64-17-5) + bis-benzothiazol-2-yl tetrasulfide (16898-71-8) + potassium cyanide (151-50-8) → 2-(ethylthio)benzothiazole (2757-92-8) + cyanic acid (420-05-3) + potassium thioacyanate (333-20-0) + potassium 2-mercaptobenzothiazolate (7778-70-3)

Guidance literature:

Reference yield:

2-Mercaptobenzothiazole (149-30-4,118090-09-8) → potassium 2-mercaptobenzothiazolate (7778-70-3)

Guidance literature:

With potassium hydroxide; In water; for 0.0333333h; Reagent/catalyst; Solvent;

DOI:10.1021/acs.jafc.5b00150

upstream raw materials:

ethanol

bis-benzothiazol-2-yl tetrasulfide

potassium cyanide

di(benzothiazol-2-yl)disulfide

Downstream raw materials:

bis(benzothiazole-2-thiol)methane

S-(1,3-benzothiazol-2-yl)-O-ethyl carbonothioate

2-benzthiazole thioacetic acid

2-benzylthiobenzothiazole

Refernces

• 1、 Cano, Natividad Herrera,Ballari, María S.,López, Abel G.,Santiago, Ana N.. "New Synthesis and Biological Evaluation of Benzothiazole Derivates as Antifungal Agents". . p. 3681 - 3686. Retrieved 2015/04/27.