Benzo[b]thiophene-2-thiol

Base Information

• Chemical Name: Benzo[b]thiophene-2-thiol
• CAS No.: 30214-04-1
• Molecular Formula: C8H6S2
• Molecular Weight: 166.268
• DSSTox Substance ID: DTXSID50454190
• Nikkaji Number: J701.817G
• Wikidata: Q82275562
• Mol file: 30214-04-1.mol

Synonyms:Benzo[b]thiophene-2-thiol;30214-04-1;1-BENZOTHIOPHENE-2-THIOL;2-benzothiophenethiol;2-mercaptobenzothiophene;[1]Benzothiophene-2-thiol;2-mercaptobenzo[b]thiophene;SCHEMBL329715;DTXSID50454190;DODWVZSLOOEOKB-UHFFFAOYSA-N;EN300-1829948

Chemical Property of Benzo[b]thiophene-2-thiol

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 165.99109254
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)S

Technology Process of Benzo[b]thiophene-2-thiol

There total 1 articles about Benzo[b]thiophene-2-thiol 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:

benzothiophen-2-yllithium (50779-55-0) → Benzo[b]thiophene-2-thiol (30214-04-1) + 2,2'-bibenzo[b]thiophene (65689-53-4)

Guidance literature:

With diethyl ether; sulfur;

Reference yield: 84.0%

2-bromocyclohexanone (1056477-06-5,822-85-5) + Benzo[b]thiophene-2-thiol (30214-04-1) → 2-benzo[b]thiophen-2-ylmercapto-cyclohexanone (109966-46-3)

Guidance literature:

Benzo[b]thiophene-2-thiol; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

2-bromocyclohexanone; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

Reference yield: 80.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + Benzo[b]thiophene-2-thiol (30214-04-1) → 3-(1-phenylethyl)benzothiophene-2-thiol

Guidance literature:

In benzene; for 2h; Heating; degassed solution;

DOI:10.1021/jo00125a036

upstream raw materials:

benzothiophen-2-yllithium

Downstream raw materials:

2-(2-nitro-phenylsulfanyl)-benzo[b]thiophene

2-(2,4-dinitro-phenylsulfanyl)-benzo[b]thiophene

3-(Benzothiazol-2-ylsulfanylmethyl)-5-(4-chloro-phenyl)-3H-[1,3,4]oxadiazole-2-thione

3-(Benzothiazol-2-ylsulfanylmethyl)-5-p-tolyl-3H-[1,3,4]oxadiazole-2-thione

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