3-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Base Information

Chemical Name:3-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CAS No.:6140-41-6
Molecular Formula:C₂₁H₁₆Cl₂O₂S
Molecular Weight:403.329
Hs Code.:
DSSTox Substance ID:DTXSID40364451
Wikidata:Q82148422
Pharos Ligand ID:7VUY9XCUB4V9
ChEMBL ID:CHEMBL1373132

Synonyms:MLS001173336;3-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;SMR000538928;303033-28-5;6140-41-6;AC1LTVIR;CHEMBL1373132;BDBM51783;cid_1570081;DTXSID40364451;AKOS000274238;BIM-0031467.P001;MLS-0146252.0001;3-[(5E)-5-[1-(2-chlorobenzyl)-2-keto-indolin-3-ylidene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid;3-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;3-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid;3-{5-[1-(2-chlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Chemical Property:

Vapor Pressure:7.09E-16mmHg at 25°C
Boiling Point:612.9°C at 760 mmHg
Flash Point:324.4°C
Density:1.62g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:458.0161770
Heavy Atom Count:30
Complexity:802

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCC(=O)O)C2=O)Cl
Isomeric SMILES:C1=CC=C(C(=C1)CN2C3=CC=CC=C3/C(=C\4/C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl

Technology Process of 3-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

There total 3 articles about 3-[(5E)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid 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:

: 933-00-6
p-methylbenzenesulfenyl chloride

: 6140-41-6
trans-1-Phenyl-2-(m-chlor-phenyl)-1-chlor-2-(p-toluolsulfonyl)-ethylen

Guidance literature:: Multi-step reaction with 2 steps

1: ethyl acetate

2: AcO₂H, AcOH

With peracetic acid; acetic acid; In ethyl acetate;

Reference yield:

: 51624-34-1
1-chloro-3-(2-phenylethynyl)benzene

: 6140-41-6
trans-1-Phenyl-2-(m-chlor-phenyl)-1-chlor-2-(p-toluolsulfonyl)-ethylen

Guidance literature:: Multi-step reaction with 2 steps

1: ethyl acetate

2: AcO₂H, AcOH

With peracetic acid; acetic acid; In ethyl acetate;