Isonicotyl thiosemicarbazone

Base Information

• Chemical Name: Isonicotyl thiosemicarbazone
• CAS No.: 14397-24-1
• Molecular Formula: C7H8 N4 O S
• Molecular Weight: 196.233
• Hs Code.: 2933399090
• NSC Number: 14593
• UNII: BB49X70V53
• DSSTox Substance ID: DTXSID90162585
• Nikkaji Number: J1.394.122J
• Pharos Ligand ID: S3HSNFAJFCY9
• ChEMBL ID: CHEMBL3633776
• Mol file: 14397-24-1.mol

Synonyms:14397-24-1;Isonicotyl thiosemicarbazone;1-Isonicotinoyl(thiosemicarbazide);(pyridine-4-carbonylamino)thiourea;BB49X70V53;NSC14593;NSC 14593;Semicarbazide, 1-isonicotinoyl-3-thio-;UNII-BB49X70V53;CHEMBL3633776;NSC-14593;Isonicotinic acid, thiosemicarbazide;SCHEMBL2998472;DTXSID90162585;VXVGIABASNIWKS-UHFFFAOYSA-N;1-isonicotinoyl-3-thiosemicarbazide;AHT101307;BDBM50133802;AKOS000295748;2-Isonicotinoylhydrazinecarbothioamide #;ISONICOTINIC ACID, THIOSEMICARBAZIDE;N-(CARBAMOTHIOYLAMINO)PYRIDINE-4-CARBOXAMIDE;4-Pyridinecarboxylic acid, 2-(aminothioxomethyl)hydrazide

Chemical Property of Isonicotyl thiosemicarbazone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 112.13000
• Density: 1.396g/cm³
• LogP: 1.04170
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 196.04188206
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C(=O)NNC(=S)N

Technology Process of Isonicotyl thiosemicarbazone

There total 1 articles about Isonicotyl 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:

isonicotinic acid hydrazide; thiocyanate → 3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione (1477-24-3,14910-06-6) + 2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide (14397-24-1)

Guidance literature:

at 140 - 150 ℃;

Reference yield: 79.0%

2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide (14397-24-1) → 3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione (1477-24-3,14910-06-6)

Guidance literature:

With sodium hydroxide; In water; for 2h; Reflux;

DOI:10.1111/cbdd.13982

Reference yield: 62.0%

2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide (14397-24-1) + 4-chlorobenzoylmethyl bromide (536-38-9) → 4-(p-chlorophenyl)-2-isonicotinylhydrazinothiazole (84702-27-2)

Guidance literature:

In ethanol; for 4h; Heating;

Downstream raw materials:

3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione

2-amino-5-(pyrid-4-yl)-1,3,4-thiadiazole

5-[4]pyridyl-1,2-dihydro-[1,2,4]triazole-3-thione

2-amino-5-(pyridin-4-yl)-1,3,4-oxadiazole