Rhodanine, 3-(m-chlorophenyl)-

Base Information

• Chemical Name: Rhodanine, 3-(m-chlorophenyl)-
• CAS No.: 17062-65-6
• Molecular Formula: C9H6 Cl N O S2
• Molecular Weight: 243.73
• NSC Number: 246967
• UNII: QS26ZJL6RQ
• DSSTox Substance ID: DTXSID20168914
• Wikidata: Q83038536
• ChEMBL ID: CHEMBL602568
• Mol file: 17062-65-6.mol

Synonyms:Rhodanine, 3-(m-chlorophenyl)-;17062-65-6;3-(m-Chlorophenyl)rhodanine;3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one;GNF-Pf-708;4-Thiazolidinone, 3-(3-chlorophenyl)-2-thioxo-;3-(3-Chlorophenyl)-2-thioxo-4-thiazolidinone;3-(3-CHLOROPHENYL)-2-SULFANYLIDENE-THIAZOLIDIN-4-ONE;QS26ZJL6RQ;3-(3-chlorophenyl)-2-thioxo-1,3-thiazolidin-4-one;NSC-246967;NSC 246967;BRN 0174099;AI3-51498;NSC246967;BAS 00469126;UNII-QS26ZJL6RQ;MLS001182185;CHEMBL602568;DTXSID20168914;HMS2868A24;STL428332;AKOS000413883;CCG-237103;NCGC00246646-01;SMR000567938;3-(3-chlorophenyl)-2-thioxothiazolidin-4-one;SR-01000404574;SR-01000404574-1;F0920-0278

Chemical Property of Rhodanine, 3-(m-chlorophenyl)-

Chemical Property:

• Vapor Pressure: 1.12E-05mmHg at 25°C
• Boiling Point: 370.3°Cat760mmHg
• Flash Point: 177.7°C
• PSA: 77.70000
• Density: 1.57g/cm³
• LogP: 2.76970
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.9579339
• Heavy Atom Count: 14
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C(=S)S1)C2=CC(=CC=C2)Cl

Technology Process of Rhodanine, 3-(m-chlorophenyl)-

There total 2 articles about Rhodanine, 3-(m-chlorophenyl)- 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:

mercaptoacetic acid (68-11-1) + 3-chlorophenyl-isothiocyanate (2392-68-9) → 2-mercapto-3-(m-chlorophenyl)-4-thiazolidone (17062-65-6)

Guidance literature:

DOI:10.1039/jr9610003733

Reference yield:

→ 2-mercapto-3-(m-chlorophenyl)-4-thiazolidone (17062-65-6)

Guidance literature:

/BRN= 181199/;

DOI:10.1021/ja01583a037

Reference yield: 92.0%

Quinoline N-oxide (1613-37-2) + 2-mercapto-3-(m-chlorophenyl)-4-thiazolidone (17062-65-6) → 3-(3-Chloro-phenyl)-5-quinolin-2-yl-2-thioxo-thiazolidin-4-one

Guidance literature:

With sodium acetate; acetic anhydride; at 90 ℃;

upstream raw materials:

mercaptoacetic acid

3-chlorophenyl-isothiocyanate

Downstream raw materials:

3-(3-chloro-phenyl)-5-(3-oxo-3H-isobenzofuran-1-ylidene)-2-thioxo-thiazolidin-4-one

3-(3-Chloro-phenyl)-5-pyridin-2-yl-2-thioxo-thiazolidin-4-one

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