1-cyclohexyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea

Base Information

• Chemical Name: 1-cyclohexyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea
• CAS No.: 70618-53-0
• Molecular Formula: C14H20 N4 S
• Molecular Weight: 276.406
• NSC Number: 666004,296301
• DSSTox Substance ID: DTXSID60418687
• ChEMBL ID: CHEMBL1088275
• Mol file: 70618-53-0.mol

Synonyms:NSC666004;70618-53-0;HapN(ch)tsc;CHEMBL1088275;SCHEMBL21994244;DTXSID60418687;NSC296301;AKOS000961055;NSC-296301;NSC-666004;2-acetylpyridineN4(cyclohexyl)thiosemicarbazone;2-acetylpyridine N4(cyclohexyl)thiosemicarbazone;1-(2-Pyridinyl)ethanone N-cyclohexylthiosemicarbazone;1-cyclohexyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea;1-Cyclohexyl-3-{(E)-[1-(pyridin-2-yl)ethylidene]amino}thiourea

Chemical Property of 1-cyclohexyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea

Chemical Property:

• Vapor Pressure: 4.58E-07mmHg at 25°C
• Boiling Point: 414.1°C at 760 mmHg
• Flash Point: 204.2°C
• Density: 1.21g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 276.14086783
• 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)NC1CCCCC1)C2=CC=CC=N2
• Isomeric SMILES: C/C(=N\NC(=S)NC1CCCCC1)/C2=CC=CC=N2

Technology Process of 1-cyclohexyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea

There total 3 articles about 1-cyclohexyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea 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: 72.0%

2-acetylpyridine (1122-62-9) + 4-cyclohexyl-thiosemicarbazide (21198-18-5) → 2-acetylpyridine N4-cyclohexylthiosemicarbazone (70618-53-0)

Guidance literature:

In methanol; for 4h; Reflux;

DOI:10.1002/hc.21061

Reference yield:

isothiocyanatocyclohexane (1122-82-3) → 2-acetylpyridine N4-cyclohexylthiosemicarbazone (70618-53-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / diethyl ether / 5 h

2: methanol / 4 h / Reflux

With hydrazine hydrate; In methanol; diethyl ether;

DOI:10.1002/hc.21061

Reference yield:

→ 2-acetylpyridine N4-cyclohexylthiosemicarbazone (70618-53-0)

Guidance literature:

2-Acetyl-pyridin, H2N-NH-CS-NH-cyclohexyl;

DOI:10.1021/jm00193a020

upstream raw materials:

2-acetylpyridine

4-cyclohexyl-thiosemicarbazide

isothiocyanatocyclohexane