1H-Pyrazole-1-carbothioamide, 2-((3-(4-chlorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-2,3-dihydro-5-methyl-3-oxo-N-phenyl-

Base Information

Chemical Name:1H-Pyrazole-1-carbothioamide, 2-((3-(4-chlorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-2,3-dihydro-5-methyl-3-oxo-N-phenyl-
CAS No.:96911-66-9
Molecular Formula:C₂₁H₁₅ClN₄O₂S₃
Molecular Weight:487.027
Hs Code.:
DSSTox Substance ID:DTXSID10242631
Wikidata:Q76423217

Synonyms:1H-Pyrazole-1-carbothioamide, 2-((3-(4-chlorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-2,3-dihydro-5-methyl-3-oxo-N-phenyl-;96911-66-9;BRN 5180403;DTXSID10242631

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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 1H-Pyrazole-1-carbothioamide, 2-((3-(4-chlorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-2,3-dihydro-5-methyl-3-oxo-N-phenyl-

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:486.0045669
Heavy Atom Count:31
Complexity:848

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)N(N1C(=S)NC2=CC=CC=C2)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)Cl
Isomeric SMILES:CC1=CC(=O)N(N1C(=S)NC2=CC=CC=C2)/C=C\3/C(=O)N(C(=S)S3)C4=CC=C(C=C4)Cl

Technology Process of 1H-Pyrazole-1-carbothioamide, 2-((3-(4-chlorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-2,3-dihydro-5-methyl-3-oxo-N-phenyl-

There total 2 articles about 1H-Pyrazole-1-carbothioamide, 2-((3-(4-chlorophenyl)-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-2,3-dihydro-5-methyl-3-oxo-N-phenyl- 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: 68.0%

: 13037-55-3
3-(4-chloro-phenyl)-2-thioxo-thiazolidin-4-one

: 2-Formyl-5-methyl-3-oxo-2,3-dihydro-pyrazole-1-carbothioic acid phenylamide

: 96911-66-9
2-[3-(4-Chloro-phenyl)-4-oxo-2-thioxo-thiazolidin-(5E)-ylidenemethyl]-5-methyl-3-oxo-2,3-dihydro-pyrazole-1-carbothioic acid phenylamide

Guidance literature:: With sodium acetate; acetic acid; for 3h; Heating;

Reference yield:

: 96911-58-9
1-formyl-3-methyl-5-pyrazolone

: 96911-66-9
2-[3-(4-Chloro-phenyl)-4-oxo-2-thioxo-thiazolidin-(5E)-ylidenemethyl]-5-methyl-3-oxo-2,3-dihydro-pyrazole-1-carbothioic acid phenylamide

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 3 h / Heating

2: 68 percent / sodium acetate, acetic acid / 3 h / Heating

With sodium acetate; acetic acid; In ethanol;