3-Sulfanyl-2-thiophenecarboxylic acid

Base Information

• Chemical Name: 3-Sulfanyl-2-thiophenecarboxylic acid
• CAS No.: 90033-62-8
• Molecular Formula: C5H4O2S2
• Molecular Weight: 160.218
• DSSTox Substance ID: DTXSID40363186
• Wikidata: Q82146780
• Mol file: 90033-62-8.mol

Synonyms:90033-62-8;3-sulfanyl-2-thiophenecarboxylic acid;3-sulfanylthiophene-2-carboxylic Acid;3-mercaptothiophene-2-carboxylic acid;3-mercapto-thiophene-2-carboxylic acid;2-Thiophenecarboxylic acid, 3-mercapto-;mercaptothiolcarboxylic;SCHEMBL1532037;DTXSID40363186;3-mercaptothiophene-2-carboxylicacid;MFCD00663854;AKOS005074494;2-thiophenecarboxylic acid,3-mercapto-;10G-306S;CS-0366027;FT-0700627

Chemical Property of 3-Sulfanyl-2-thiophenecarboxylic acid

Chemical Property:

• PSA: 104.34000
• LogP: 1.73500
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 159.96527171
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

95%-98% ^*data from raw suppliers

3-Sulfanyl-2-thiophenecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1S)C(=O)O

Technology Process of 3-Sulfanyl-2-thiophenecarboxylic acid

There total 5 articles about 3-Sulfanyl-2-thiophenecarboxylic acid 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: 90.0%

S-(2-Methoxycarbonyl-3-thienyl) N,N-diethylthiocarbamate (90033-61-7) → 3-Mercaptothiophene-2-carboxylic acid (90033-62-8)

Guidance literature:

With sodium hydroxide; In methanol; for 1h; Heating;

DOI:10.1055/s-1984-30770

Reference yield: 79.2%

3-Ethoxythiocarbonylsulfanyl-thiophene-2-carboxylic acid methyl ester (98077-06-6) → 3-Mercaptothiophene-2-carboxylic acid (90033-62-8)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Reflux;

DOI:10.1134/S1070363221100273

Reference yield:

methyl 3-hydroxy-2-thiophenecarboxylate (5118-06-9) → 3-Mercaptothiophene-2-carboxylic acid (90033-62-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF; 2.) 80 deg C, 1 h

2: 83 percent / 0.5 h / 220 °C

3: 90 percent / aq. 10percent NaOH / methanol / 1 h / Heating

With sodium hydroxide; sodium hydride; In methanol;

DOI:10.1055/s-1984-30770

upstream raw materials:

S-(2-Methoxycarbonyl-3-thienyl) N,N-diethylthiocarbamate

methyl 3-hydroxy-2-thiophenecarboxylate

O-(2-Methoxycarbonyl-3-thienyl) N,N-diethylthiocarbamate

3-Ethoxythiocarbonylsulfanyl-thiophene-2-carboxylic acid methyl ester

Downstream raw materials:

3-(2-Chloro-6-nitro-phenylsulfanyl)-thiophene-2-carboxylic acid

3-(2-Nitro-4-trifluoromethyl-phenylsulfanyl)-thiophene-2-carboxylic acid

3-(4-Chloro-2-nitro-phenylsulfanyl)-thiophene-2-carboxylic acid

3-(2-aminothiophenoxy)thiophene-2-carboxylic acid

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