5-(2-Chlorobenzylidene)-2-thioxo-1,3-thiazolan-4-one

Base Information

• Chemical Name: 5-(2-Chlorobenzylidene)-2-thioxo-1,3-thiazolan-4-one
• CAS No.: 6318-36-1
• Molecular Formula: C10H6 Cl N O S2
• Molecular Weight: 255.749
• NSC Number: 31092
• DSSTox Substance ID: DTXSID80360876
• Nikkaji Number: J3.298.690K
• Wikidata: Q82142885
• ChEMBL ID: CHEMBL4068388
• Mol file: 6318-36-1.mol

Synonyms:6318-36-1;CHEMBL4068388;STK441895;5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolan-4-one;MLS002639376;(5Z)-5-(2-chlorobenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one;NSC31092;5-(2-CHLOROBENZYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE;SCHEMBL12892060;DTXSID80360876;BBL017186;BDBM50248875;NSC-31092;STK795737;AKOS001296938;AKOS003313226;VS-05929;AB00076248-01;Z44301452;(z)-5-(2-chlorobenzylidene)-2-thioxothiazolidin-4-one;(5Z)-5-(2-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one;(E);-5-(2-Chlorobenzylidene);-2-mercaptothiazol-4(5H);-one;(5Z)-5-[(2-chlorophenyl)methylidene]-2-sulfanyl-4,5-dihydro-1,3-thiazol-4-one;(5Z)-5-[(2-CHLOROPHENYL)METHYLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE

Chemical Property of 5-(2-Chlorobenzylidene)-2-thioxo-1,3-thiazolan-4-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.54g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 254.9579339
• Heavy Atom Count: 15
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=C2C(=O)NC(=S)S2)Cl
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=S)S2)Cl

Technology Process of 5-(2-Chlorobenzylidene)-2-thioxo-1,3-thiazolan-4-one

There total 2 articles about 5-(2-Chlorobenzylidene)-2-thioxo-1,3-thiazolan-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: 94.0%

2-thioxo-4-thiazolidinone (141-84-4) + 2-chloro-benzaldehyde (89-98-5) → (E,Z)-5-(2-chlorophenylmethylene)-4-oxo-2-thioxothiazolidine (6318-36-1,81154-00-9)

Guidance literature:

With (2-hydroxyethyl)ammonium formate; at 20 ℃; for 0.0666667h; neat (no solvent);

DOI:10.1139/V10-011

Reference yield:

→ (E,Z)-5-(2-chlorophenylmethylene)-4-oxo-2-thioxothiazolidine (6318-36-1,81154-00-9)

Guidance literature:

Aus Rhodanin, o-Chlorbenzaldehyd und Δ;

Reference yield: 90.0%

(E,Z)-5-(2-chlorophenylmethylene)-4-oxo-2-thioxothiazolidine (6318-36-1,81154-00-9) + Tetraethyl methylenediphosphonate (1660-94-2) → C19H28ClNO7P2S2

Guidance literature:

With sodium ethanolate; In ethanol; N,N-dimethyl-formamide; for 0.15h; microwave irradiation;

DOI:10.1016/j.ejmech.2007.07.005

upstream raw materials:

2-thioxo-4-thiazolidinone

2-chloro-benzaldehyde

Downstream raw materials:

5-(2-chloro-benzylidene)-3-(tetra-O-acetyl-β-D-glucopyranosyl)-2-thioxo-thiazolidin-4-one

5-(2-chlorophenylmethylene)-2-piperidino-4-oxo-2-thiazoline

piperidine salt of (E,Z)-5-(2-chlorophenylmethylene)-4-oxo-2-thioxothiazolidine

5-(2-chlorophenylmethylene)-2-morpholino-4-oxo-2-thiazoline