2-Benzothiazoleselenol

Base Information

• Chemical Name: 2-Benzothiazoleselenol
• CAS No.: 10200-72-3
• Molecular Formula: C₇H₅NSSe
• Molecular Weight: 214.149
• Hs Code.: 2934999090
• NSC Number: 71319
• DSSTox Substance ID: DTXSID30422559
• Wikidata: Q82234507
• ChEMBL ID: CHEMBL3890858
• Mol file: 10200-72-3.mol

Synonyms:2-Benzothiazoleselenol;10200-72-3;2(3H)-Benzothiazoleselone(9CI);benzothiazole-2-selenone;NSC71319;2-Benzothiazolineselenone;NCIOpen2_004767;SCHEMBL4241697;CHEMBL3890858;DTXSID30422559;(1,3-Benzothiazol-2-yl)selanyl;1,3-Benzothiazole-2(3H)-selone;NSC-71319

Chemical Property of 2-Benzothiazoleselenol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 44.03000
• Density: g/cm³
• LogP: 2.04240
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 213.92297
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)[Se]

Technology Process of 2-Benzothiazoleselenol

There total 6 articles about 2-Benzothiazoleselenol 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: 22.0%

2-bromo-1,3-benzothiazole (2516-40-7) → benzo[d]thiazole-2-selenol (10200-72-3)

Guidance literature:

With selenourea; for 15h; Reflux;

DOI:10.1016/j.ejmech.2016.07.042

Reference yield:

di(benzothiazol-2-yl)disulfide (120-78-5) → benzo[d]thiazole-2-selenol (10200-72-3)

Guidance literature:

di(benzothiazol-2-yl)disulfide; With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 ℃; for 0.25h; Inert atmosphere;

With hydrogenchloride; In methanol; water; Inert atmosphere;

DOI:10.1002/chem.201901607

Reference yield:

2-chlorobenzo[d][1,3]thiazole (615-20-3) → benzothiazole-2-selenone (10200-72-3)

Guidance literature:

With sodium hydrogen selenide;

upstream raw materials:

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

carbon diselenide

2-amino-benzenethiol

2-bromo-1,3-benzothiazole