3-(Methylthio)thiophene

Base Information

• Chemical Name: 3-(Methylthio)thiophene
• CAS No.: 20731-74-2
• Molecular Formula: C5H6S2
• Molecular Weight: 130.235
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10334146
• Nikkaji Number: J100.418B
• Wikidata: Q82099847
• Metabolomics Workbench ID: 45799
• Mol file: 20731-74-2.mol

Synonyms:3-(Methylthio)thiophene;20731-74-2;3-methylsulfanylthiophene;3-(Methylsulfanyl)thiophene;Thiophene, 3-(methylthio)-;3-Thienylmethylsulfide;Methyl 3-thienyl sulfide;Thiophene,3-(methylthio)-;3-methylthiothiophene;Methyl-3-thienylsulfide;3-(Methylthio)-Thiophene;3-(Methylthio)thiophene, 9CI;SCHEMBL1146010;DTXSID10334146;MFCD00068009;AKOS025116858;PS-4393;CS-0186718;FT-0613815;D97361;EN300-330364

Chemical Property of 3-(Methylthio)thiophene

Chemical Property:

• Vapor Pressure: 0.714mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: 191.5 °C at 760 mmHg
• Flash Point: 69.6 °C
• PSA: 53.54000
• Density: 1.18 g/cm³
• LogP: 2.47000
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.99109254
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

99% ^*data from raw suppliers

3-(Methylthio)thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CSC=C1

Technology Process of 3-(Methylthio)thiophene

There total 7 articles about 3-(Methylthio)thiophene 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: 88.0%

3-[(2-cyanoethyl)sulfanyl]thiophene (437711-55-2) + methyl iodide (74-88-4) → 3-(methylthio)thiophene (20731-74-2)

Guidance literature:

3-[(2-cyanoethyl)sulfanyl]thiophene; With cesium hydroxide; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

methyl iodide; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 1h; Further stages.;

DOI:10.1021/jo025627+

Reference yield: 76.0%

3-Bromothiophene (872-31-1) + Dimethyldisulphide (624-92-0) → 3-(methylthio)thiophene (20731-74-2)

Guidance literature:

3-Bromothiophene; With n-butyllithium; In tetrahydrofuran; n-heptane; at -30 - -25 ℃; for 1.5h;

Dimethyldisulphide; In tetrahydrofuran; n-heptane; at -25 - 0 ℃;

Reference yield: 41.0%

3-Bromothiophene (872-31-1) + sodium thiomethoxide (5188-07-8) → 3-(methylthio)thiophene (20731-74-2)

Guidance literature:

With potassium iodide; copper(II) oxide; In various solvent(s); at 115 - 120 ℃; for 77h;

DOI:10.1016/S0040-4020(01)96185-X

upstream raw materials:

3-Bromothiophene

n-butyllithium

Dimethyldisulphide

sodium thiomethoxide

Downstream raw materials:

3-(methylsulfonyl)thiophene

3-(methylthio)thiophene-2-carboxylic acid

3-methylthio-2-acetylthiophene

4-bromo-1,3-thiazole

Refernces

• 1、 Yoshida, Akira,Okamoto, Koichi,Yanagi, Tomoyuki,Nogi, Keisuke,Yorimitsu, Hideki. "Metal-free synthesis of biaryls from aryl sulfoxides and sulfonanilides via sigmatropic rearrangement". . . Retrieved 2020/05/20.
• 2、 -. "organinc semiconductor compound and organic solar cell having them". Paragraph 0074-0075. . Retrieved 2017/01/05.