(3-Thienylsulfanyl)acetic acid

Base Information

• Chemical Name: (3-Thienylsulfanyl)acetic acid
• CAS No.: 6267-14-7
• Molecular Formula: C₆H₆O₂S₂
• Molecular Weight: 174.244
• NSC Number: 36716
• DSSTox Substance ID: DTXSID90284317
• Wikidata: Q82019219
• Mol file: 6267-14-7.mol

Synonyms:6267-14-7;(3-thienylsulfanyl)acetic acid;NSC36716;2-(thiophen-3-ylsulfanyl)acetic acid;(3-thienylthio)acetic acid;SCHEMBL7218149;DTXSID90284317;2-(Thiophen-3-ylthio)acetic acid;NSC-36716;AKOS006242118;CS-0346350;EN300-330357

Chemical Property of (3-Thienylsulfanyl)acetic acid

Chemical Property:

• Vapor Pressure: 6.28E-05mmHg at 25°C
• Boiling Point: 331.3°C at 760 mmHg
• Flash Point: 154.2°C
• Density: 1.43g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 173.98092178
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1SCC(=O)O

Technology Process of (3-Thienylsulfanyl)acetic acid

There total 4 articles about (3-Thienylsulfanyl)acetic 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:

thiophene-3-thiol (7774-73-4) + chloroacetic acid (79-11-8) → 3-(carboxymethylsulfanyl)thiophene (6267-14-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01159a060 DOI:10.1080/01926180390201945

Reference yield:

3-Bromothiophene (872-31-1) + bromoacetic acid,potassium salt (73318-56-6) → 3-(carboxymethylsulfanyl)thiophene (6267-14-7)

Guidance literature:

3-Bromothiophene; With n-butyllithium; In diethyl ether; hexane; at -70 ℃; for 0.25h;

With sulfur; In diethyl ether; hexane; at -70 ℃; for 0.5h;

bromoacetic acid,potassium salt; In diethyl ether; hexane; at 55 ℃; for 1h;

DOI:10.1039/b301149f

Reference yield:

3-Bromothiophene (872-31-1) + chloroacetic acid (79-11-8) → 3-(carboxymethylsulfanyl)thiophene (6267-14-7)

Guidance literature:

With n-butyllithium; potassium carbonate; sulfur; Yield given. Multistep reaction;

upstream raw materials:

thiophene-3-thiol

chloroacetic acid

3-Bromothiophene

bromoacetic acid,potassium salt

Downstream raw materials:

2,5-Thieno<3,2-b>thiophendicarbaldehyd