Benzofuran-2-thiol

Base Information

• Chemical Name: Benzofuran-2-thiol
• CAS No.: 66355-56-4
• Molecular Formula: C8H6OS
• Molecular Weight: 150.19800
• DSSTox Substance ID: DTXSID60489610
• Nikkaji Number: J701.816I
• Wikidata: Q82333002
• Mol file: 66355-56-4.mol

Synonyms:Benzofuran-2-thiol;66355-56-4;1-Benzofuran-2-thiol;benzo[b]furan-2-thiol;SCHEMBL2057444;DTXSID60489610;AKOS024437718

Chemical Property of Benzofuran-2-thiol

Chemical Property:

• PSA: 51.94000
• LogP: 2.72150
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.01393598
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(O2)S

Technology Process of Benzofuran-2-thiol

There total 3 articles about Benzofuran-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: 93.0%

1-benzofurane (271-89-6) → 2-Benzofuranthiol (66355-56-4)

Guidance literature:

With n-butyllithium; sulfur; In diethyl ether;

DOI:10.1007/BF00503185

Reference yield: 68.0%

4-(2'-hydroxyphenyl)-1,2,3-thiadiazole (59834-06-9) → 2-Benzofuranthiol (66355-56-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 1h; Reflux;

DOI:10.1134/S1070428009110281

Reference yield:

N'-[1-(2-hydroxy-phenyl)-ethylidene]-hydrazinecarboxylic acid ethyl ester (59834-04-7) → 2-Benzofuranthiol (66355-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride

2.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / Heating

2.2: 30 °C

With thionyl chloride; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1134/S1070428012050168

upstream raw materials:

1-benzofurane

4-(2'-hydroxyphenyl)-1,2,3-thiadiazole

N'-[1-(2-hydroxy-phenyl)-ethylidene]-hydrazinecarboxylic acid ethyl ester