Benzothiazole, ethylsulfonyl-

Base Information

• Chemical Name: Benzothiazole, ethylsulfonyl-
• CAS No.: 2591-11-9
• Molecular Formula: C9H9 N O2 S2
• Molecular Weight: 227.308
• DSSTox Substance ID: DTXSID00180578
• Nikkaji Number: J41.953B
• Wikidata: Q81985487
• Mol file: 2591-11-9.mol

Synonyms:2-(ethylsulfonyl)benzothiazole;Ethylsulfonylbenzothiazole;2591-11-9;Ethyl 2-benzothiazyl sulfone;BENZOTHIAZOLE, ETHYLSULFONYL-;benzothiazole, 2-(ethylsulfonyl)-;SCHEMBL3595617;DTXSID00180578;2-(ethylsulfonyl)benzo[d]thiazole;ZYGPCLHWVYJMPA-UHFFFAOYSA-N;2-(ethylsulfonyl)-1,3-benzothiazole;2-(Ethanesulfonyl)-1,3-benzothiazole;AKOS024342784;2-(ethyl sulfonyl)-1,3-benzothiazole;LS-40758;InChI=1/C9H9NO2S2/c1-2-14(11,12)9-10-7-5-3-4-6-8(7)13-9/h3-6H,2H2,1H

Chemical Property of Benzothiazole, ethylsulfonyl-

Chemical Property:

• Vapor Pressure: 1.51E-05mmHg at 25°C
• Boiling Point: 377°C at 760 mmHg
• Flash Point: 181.8°C
• PSA: 83.65000
• Density: 1.381g/cm³
• LogP: 3.17070
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 227.00747088
• Heavy Atom Count: 14
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=NC2=CC=CC=C2S1

Technology Process of Benzothiazole, ethylsulfonyl-

There total 8 articles about Benzothiazole, ethylsulfonyl- 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: 96.0%

2-(tricosanylsulfonyl)benzo[d]thiazole (1271300-36-7) + ethanethiol (75-08-1) → benzthiazol-2-yl ethyl sulphone (2591-11-9) + C23H47O2S(1-)*Li(1+)

Guidance literature:

With C₃₀H₅₁NOS; lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201201634

Reference yield: 93.0%

2-chlorobenzo[d][1,3]thiazole (615-20-3) + sodium ethanesulfinate (20035-08-9) → benzthiazol-2-yl ethyl sulphone (2591-11-9)

Guidance literature:

In N,N-dimethyl-formamide; at 20 - 60 ℃; for 17h; Inert atmosphere;

DOI:10.1021/jacs.9b08831

Reference yield:

2-(ethylthio)benzothiazole (2757-92-8) → benzthiazol-2-yl ethyl sulphone (2591-11-9)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 60 - 70 ℃; for 4h;

upstream raw materials:

2-vinylsulfonylbenzo[d][1,3]thiazole

2-(ethylthio)benzothiazole

2-(2-chloro-ethanesulfonyl)-benzothiazole

2-(2-chloroethylsulfenyl)benzo[d][1,3]thiazole

Downstream raw materials:

ethyl methyl sulfone

(9aS,E)-8-ethylidene-3-methoxy-1-phenyl-7,8,9,9a-tetrahydro-1H-2-oxa-6a,10adiazabenzo[cd]cyclopenta[g]azulene-6,10-dione

E-1-(4'-methoxyphenyl)prop-1-ene

1,2-dimethoxy-4-(E)-propenylbenzene

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 2591-11-9 2-(Ethylsulfonyl)benzothiazole

Send

Send

Metric Ton KG G Pound L ML

Send

Send