2-Benzoylpyridine thiosemicarbazone

Base Information

• Chemical Name: 2-Benzoylpyridine thiosemicarbazone
• CAS No.: 82766-13-0
• Molecular Formula: C13H12N4S
• Molecular Weight: 256.331
• Hs Code.: 2933990090
• NSC Number: 143166
• Nikkaji Number: J2.364.852K
• ChEMBL ID: CHEMBL231041
• Mol file: 82766-13-0.mol

Synonyms:2-benzoylpyridine thiosemicarbazone;82766-13-0;CHEMBL231041;SCHEMBL13522802;2-ben-zoylpyridine thiosemicarbazone;2'-Benzoylpyridine Thiosemicarbazone;NSC143166;AKOS024371973;NSC-143166;[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea;alpha-(2-Pyridyl)benzaldehyde (Z)-thiosemicarbazone;2-[Phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide

Chemical Property of 2-Benzoylpyridine thiosemicarbazone

Chemical Property:

• Vapor Pressure: 7.82E-08mmHg at 25°C
• Boiling Point: 436.9°C at 760 mmHg
• Flash Point: 218°C
• PSA: 95.39000
• Density: 1.25g/cm³
• LogP: 2.75840
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.07826757
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NNC(=S)N)C2=CC=CC=N2
• Isomeric SMILES: C1=CC=C(C=C1)/C(=N\NC(=S)N)/C2=CC=CC=N2

Technology Process of 2-Benzoylpyridine thiosemicarbazone

There total 2 articles about 2-Benzoylpyridine thiosemicarbazone 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: 90.0%

→ 2-(phenyl(pyridin-2-yl)methylene)hydrazine-1-carbothioamide (82766-13-0)

Guidance literature:

Reference yield: 88.0%

phenyl(pyridin-2-yl)methanone (91-02-1) + thiosemicarbazide (79-19-6) → 2-(phenyl(pyridin-2-yl)methylene)hydrazine-1-carbothioamide (82766-13-0)

Guidance literature:

With acetic acid; In ethanol; Reflux;

DOI:10.3390/molecules15020988

Reference yield: 81.0%

gallium(III) trichloride + 2-(phenyl(pyridin-2-yl)methylene)hydrazine-1-carbothioamide (82766-13-0) → dichlorido[2-(phenyl(pyridin-2-yl)methylene)hydrazinecarbothioamide-N,N',S]gallium(III)

Guidance literature:

In methanol;

DOI:10.1039/d0ra02913k

upstream raw materials:

phenyl(pyridin-2-yl)methanone

thiosemicarbazide

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