S-Phenyl thiophenethiocarboxylate

Base Information

• Chemical Name: S-Phenyl thiophenethiocarboxylate
• CAS No.: 28122-95-4
• Molecular Formula: C11H8 O S2
• Molecular Weight: 220.316
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10182402
• Nikkaji Number: J48.864J
• Wikidata: Q83053079
• Mol file: 28122-95-4.mol

Synonyms:S-Phenyl thiophenethiocarboxylate;28122-95-4;2-Thiophenecarboxylic acid, thio-, S-phenyl ester;BRN 4980991;SCHEMBL3653011;DTXSID10182402;2-Thiophenecarbothioic acid S-phenyl ester;2-Thiophenecarbothioic acid, S-phenyl ester;LS-153060

Chemical Property of S-Phenyl thiophenethiocarboxylate

Chemical Property:

• Vapor Pressure: 0.000246mmHg at 25°C
• Boiling Point: 324.4°Cat760mmHg
• Flash Point: 150°C
• PSA: 70.61000
• Density: 1.31g/cm³
• LogP: 3.68060
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 220.00165722
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC(=O)C2=CC=CS2

Technology Process of S-Phenyl thiophenethiocarboxylate

There total 16 articles about S-Phenyl thiophenethiocarboxylate 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: 97.0%

2-Thiophenecarbonyl chloride (5271-67-0) + (1,3-dimethyl-1H-imidazol-3-ium-2-yl)bis(phenylthio)hydroborate → S-phenyl thiofuran-2-carbothioate (28122-95-4)

Guidance literature:

In chloroform; at 20 ℃; for 2h;

DOI:10.1021/ol5010164

Reference yield: 91.0%

thiophen-2-carboxylic anhydride (25569-97-5) + diphenyldisulfane (882-33-7) → S-phenyl thiofuran-2-carbothioate (28122-95-4)

Guidance literature:

With rongalite; cesium fluoride; In water; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2010.07.023

Reference yield: 84.0%

2-thiophenylcarboxylic acid (527-72-0) + thiophenol (108-98-5) → S-phenyl thiofuran-2-carbothioate (28122-95-4)

Guidance literature:

2-thiophenylcarboxylic acid; With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 60 ℃; for 1h; Schlenk technique;

thiophenol; With triethylamine; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 4h; Schlenk technique;

DOI:10.1021/acs.orglett.1c03805

upstream raw materials:

2-Iodothiophene

carbon monoxide

(Et)3tin(phenylthiolate)

2-Thiophenecarbonyl chloride

Downstream raw materials:

phenyl dithio-2-thiophenate

3-bromo-2-phenylthio-1-propene

trans-Pt(SPh)[C(O)(2-thienyl)](PPh₃)2

(PPh3)[(2-thienyl)C(O)]Pt(μ-SPh)2Pt[C(O)(2-thienyl)](PPh3)