2-isonicotinoyl-N-phenylhydrazinecarbothioamide

Base Information

• Chemical Name: 2-isonicotinoyl-N-phenylhydrazinecarbothioamide
• CAS No.: 6954-50-3
• Molecular Formula: C13H12N4OS
• Molecular Weight: 272.33
• NSC Number: 37545
• Nikkaji Number: J777.100B
• Pharos Ligand ID: T97SD33Y8FMK
• ChEMBL ID: CHEMBL1412565
• Mol file: 6954-50-3.mol

Synonyms:2-isonicotinoyl-N-phenylhydrazinecarbothioamide;6954-50-3;1-phenyl-3-(pyridine-4-carbonylamino)thiourea;NSC37545;CHEMBL1412565;N-[(PHENYLCARBAMOTHIOYL)AMINO]PYRIDINE-4-CARBOXAMIDE;MLS000568402;HMS2190P06;BDBM50133749;MFCD00431547;NSC-37545;STK325631;AKOS000568269;SB86524;LS-08238;SMR000174686;CS-0314607;N-(anilinocarbamothioyl)pyridine-4-carboxamide;2-Isonicotinoyl-N-phenylhydrazine-1-carbothioamide;A914580;SR-01000359970;SR-01000359970-1;N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide;N-PHENYL-2-(4-PYRIDYLCARBONYL)-1-HYDRAZINECARBOTHIOAMIDE

Chemical Property of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide

Chemical Property:

• Density: 1.357g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.07318219
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=NC=C2

Technology Process of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide

There total 5 articles about 2-isonicotinoyl-N-phenylhydrazinecarbothioamide 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: 98.0%

isoniazid (54-85-3,7640-37-1) + phenyl isothiocyanate (103-72-0) → 1-isonicotinoyl-4-phenylthiosemicarbazide (6954-50-3)

Guidance literature:

In isopropyl alcohol; for 3h; Heating;

DOI:10.1002/jhet.5570430529

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + isoniazid (54-85-3,7640-37-1) + aniline (62-53-3) → 1-isonicotinoyl-4-phenylthiosemicarbazide (6954-50-3)

Guidance literature:

carbon disulfide; aniline; With potassium hydroxide; In ethanol; at 0 - 5 ℃; for 1h;

isoniazid; In ethanol; at 80 ℃; for 1h;

DOI:10.1007/s00044-014-1216-5

Reference yield:

phenyl isothiocyanate (103-72-0) + hydrazide de l'acide isonicotinique → 1-isonicotinoyl-4-phenylthiosemicarbazide (6954-50-3)

Guidance literature:

In benzene; at 80 ℃; for 8h; Reflux;

DOI:10.1016/j.poly.2013.08.032

upstream raw materials:

isoniazid

phenyl isothiocyanate

phenyl thiocyanate

carbon disulfide

Downstream raw materials:

phenyl-(5-pyridin-4-yl[1,3,4]thiadiazol-2-yl)-amine

N₄-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)isonicotinamide

C₂₄H₂₃N₅OS