Hydrazinecarbothioamide, N-phenyl-2-(1-(2-pyridinyl)ethylidene)-

Base Information

• Chemical Name: Hydrazinecarbothioamide, N-phenyl-2-(1-(2-pyridinyl)ethylidene)-
• CAS No.: 63698-06-6
• Molecular Formula: C14H14N4S
• Molecular Weight: 270.358
• Nikkaji Number: J377.583F
• ChEMBL ID: CHEMBL2037441

Synonyms:2-acetylpyridine-(4-phenylthiosemicarbazone);2-APPT

Chemical Property of Hydrazinecarbothioamide, N-phenyl-2-(1-(2-pyridinyl)ethylidene)-

Chemical Property:

• Vapor Pressure: 3.36E-07mmHg at 25°C
• Melting Point: 190-192 °C(Solv: ethanol (64-17-5))
• Boiling Point: 418.1°Cat760mmHg
• PKA: 10.96±0.70(Predicted)
• Flash Point: 206.7°C
• PSA: 81.40000
• Density: 1.18g/cm³
• LogP: 3.25610
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 270.09391764
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=S)NC1=CC=CC=C1)C2=CC=CC=N2
• Isomeric SMILES: C/C(=N/NC(=S)NC1=CC=CC=C1)/C2=CC=CC=N2

Technology Process of Hydrazinecarbothioamide, N-phenyl-2-(1-(2-pyridinyl)ethylidene)-

There total 10 articles about Hydrazinecarbothioamide, N-phenyl-2-(1-(2-pyridinyl)ethylidene)- 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: 89.0%

2-acetylpyridine (1122-62-9) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → 2-acetylpyridine 4-phenylthiosemicarbazone (63698-06-6)

Guidance literature:

With acetic acid; In ethanol; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2017.02.026

Reference yield: 81.0%

2-acetylpyridine (1122-62-9) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → (E)-N-phenyl-2-(1-(pyridin-2-yl)ethylidene)hydrazine-1-carbothioamide (63698-06-6)

Guidance literature:

With acetic acid; In ethanol; water; for 2h; Reflux;

DOI:10.1021/jm801585u

Reference yield: 69.1%

→ 2-acetylpyridine 4-phenylthiosemicarbazone (63698-06-6)

Guidance literature:

With acetic acid; In methanol; at 70 ℃; for 3.5h;

upstream raw materials:

(E)-2-(1-hydrazineylideneethyl)pyridine

2-acetylpyridine

4-Phenyl-3-thiosemicarbazide

phenyl isothiocyanate

Downstream raw materials:

2-acetylpyridine-N⁽⁴⁾-phenylthiosemicarbazone

Ga(CH₃)2[NC₅H₄C(CH₃)NNC(S)NC₆H₅]Ga(CH₃)2

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