(5E)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Base Information

• Chemical Name: (5E)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS No.: 4120-64-3
• Molecular Formula: C10H6 N2 O3 S2
• Molecular Weight: 266.301
• Hs Code.: 2934999090
• European Community (EC) Number: 651-180-8
• Mol file: 4120-64-3.mol

Synonyms:4120-64-3;5-p-nitrobenzylidene-rhodanine;SCHEMBL1250835;(5E)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;AKOS030653219;FT-0679484

Chemical Property of (5E)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Chemical Property:

• Vapor Pressure: 3.57E-07mmHg at 25°C
• Melting Point: 259 °C(Solv: acetone (67-64-1))
• Boiling Point: °Cat760mmHg
• PKA: 6.98±0.30(Predicted)
• Flash Point: °C
• PSA: 132.31000
• Density: 1.6g/cm³
• LogP: 2.93560
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 265.98198440
• Heavy Atom Count: 17
• Complexity: 395

Purity/Quality:

98%min ^*data from raw suppliers

(5E)-2-Mercapto-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)[N+](=O)[O-]

Technology Process of (5E)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

There total 14 articles about (5E)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one 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: 98.0%

2-thioxo-4-thiazolidinone (141-84-4) + 4-nitrobenzaldehdye (555-16-8) → 5-(4-nitrophenylmethylene)-2-thioxothiazolidin-4-one (4120-64-3)

Guidance literature:

With 1-butyl-3-methylimidazolium hydroxide; In water; at 20 ℃; for 0.166667h;

DOI:10.1007/s00706-008-0871-y

Reference yield: 95.0%

2-thioxo-4-thiazolidinone (141-84-4) + 4-nitrobenzaldehdye (555-16-8) → 5-(4-nitrobenzylidene)-2-thioxothiazolidin-4-one (4120-64-3)

Guidance literature:

With piperidine; acetic acid; In ethanol; at 150 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1021/jm2002525

Reference yield:

3-Benzoyl-5-[1-(4-nitro-phenyl)-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one → 5-(4-nitrophenylmethylene)-2-thioxothiazolidin-4-one (4120-64-3) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With hydrogen cation; In water;

DOI:10.1023/A:1015514217370

upstream raw materials:

2-thioxo-4-thiazolidinone

4-nitrobenzaldehdye

5-(1-methylethylidene)-2-thioxo-1,3-thiazolidin-4-one

5-(1-methyl-3-oxo-butylidene)-2-thioxo-thiazolidin-4-one

Downstream raw materials:

4-aminophenylpropionic acid amide

(Z)-2-(methylthio)-5-(4-nitrobenzylidene)thiazol-4(5H)-one