2-Anilino-4-benzoyl-5-(methylsulfanyl)thiophene-3-carbonitrile

Base Information

Chemical Name:2-Anilino-4-benzoyl-5-(methylsulfanyl)thiophene-3-carbonitrile
CAS No.:119091-75-7
Molecular Formula:C₁₉H₁₄N₂OS₂
Molecular Weight:350.465
Hs Code.:
DSSTox Substance ID:DTXSID80557845
Wikidata:Q82439884

Synonyms:119091-75-7;DTXSID80557845;2-Anilino-4-benzoyl-5-(methylsulfanyl)thiophene-3-carbonitrile

Suppliers and Price of 2-Anilino-4-benzoyl-5-(methylsulfanyl)thiophene-3-carbonitrile

Supply Marketing:

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

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Chemical Property of 2-Anilino-4-benzoyl-5-(methylsulfanyl)thiophene-3-carbonitrile

Chemical Property:

XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:350.05475542
Heavy Atom Count:24
Complexity:477

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=C(C(=C(S1)NC2=CC=CC=C2)C#N)C(=O)C3=CC=CC=C3

Technology Process of 2-Anilino-4-benzoyl-5-(methylsulfanyl)thiophene-3-carbonitrile

There total 2 articles about 2-Anilino-4-benzoyl-5-(methylsulfanyl)thiophene-3-carbonitrile 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: 65.0%

: 103-72-0
phenyl isothiocyanate

: C₁₃H₁₂NOS₂^(1-)*Na⁽¹⁺⁾

: 119091-75-7
2-anilino-4-benzoyl-5-(methylthio)thiophene-3-carbonitrile

Guidance literature:: In benzene; Product distribution; Mechanism; reactions of its derivatives with aryl isothiocyanates, 4-chlorobenzaldehyde and benzonitrile;

Reference yield:

: 77147-92-3
3-Benzoyl-4,4-bis-methylsulfanyl-but-3-enenitrile

: 119091-75-7
2-anilino-4-benzoyl-5-(methylthio)thiophene-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / benzene / 5 h / Ambient temperature

2: 65 percent / benzene / reactions of its derivatives with aryl isothiocyanates, 4-chlorobenzaldehyde and benzonitrile

With sodium hydride; In benzene;