N-allyl-2-isonicotinoylhydrazinecarbothioamide

Base Information

• Chemical Name: N-allyl-2-isonicotinoylhydrazinecarbothioamide
• CAS No.: 15886-23-4
• Molecular Formula: C₁₀H₁₂N₄OS
• Molecular Weight: 236.297
• NSC Number: 201929
• DSSTox Substance ID: DTXSID40364370
• Nikkaji Number: J1.656.207F
• Pharos Ligand ID: 4N6WVVHUHL24
• ChEMBL ID: CHEMBL1479002
• Mol file: 15886-23-4.mol

Synonyms:15886-23-4;N-allyl-2-isonicotinoylhydrazinecarbothioamide;1-prop-2-enyl-3-(pyridine-4-carbonylamino)thiourea;CHEMBL1479002;4-Allyl-1-isonicotinoylthiosemicarbazide;4-Pyridinecarboxylic acid, 2-[(2-propen-1-ylaMino)thioxoMethyl]hydrazide;N-{[(PROP-2-EN-1-YL)CARBAMOTHIOYL]AMINO}PYRIDINE-4-CARBOXAMIDE;NSC201929;Maybridge1_005450;MLS000717786;HMS556P16;DTXSID40364370;HMS2693I22;BDBM50133861;N-(prop-2-en-1-yl)-2-(pyridin-4-ylcarbonyl)hydrazinecarbothioamide;STL283983;AKOS000399708;AKOS003624609;NSC-201929;SMR000279154;AO-476/40438416;SR-01000421023;SR-01000421023-1;(E)-N-allyl-N'-isonicotinoylcarbamohydrazonothioic acid;F0300-0213;F0807-0583;N~1~-allyl-2-(4-pyridylcarbonyl)-1-hydrazinecarbothioamide;N-(Prop-2-en-1-yl)-2-(pyridine-4-carbonyl)hydrazine-1-carbothioamide

Chemical Property of N-allyl-2-isonicotinoylhydrazinecarbothioamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.242g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 236.07318219
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

Min98% HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-allyl-2-isonicotinoylhydrazinecarbothioamide

There total 2 articles about N-allyl-2-isonicotinoylhydrazinecarbothioamide 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: 87.0%

isoniazid (54-85-3,7640-37-1) + N-allyl isothiocyanate (57-06-7,58391-87-0) → 4-allyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide (15886-23-4)

Guidance literature:

In isopropyl alcohol; for 3h; Heating;

DOI:10.1002/jhet.5570430529

Reference yield:

→ 4-allyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide (15886-23-4)

Guidance literature:

Hydrazid I, entspr. Dithiocarbamat;

Reference yield: 80.0%

4-allyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide (15886-23-4) → 4-allyl-5-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione (90842-92-5)

Guidance literature:

With sodium hydroxide; for 8h; Reflux;

DOI:10.1016/j.saa.2012.01.027

upstream raw materials:

isoniazid

N-allyl isothiocyanate

Downstream raw materials:

4-allyl-5-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione

4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

C₂₁H₂₃N₅OS