N-cyclohexyl-N-methylthiourea

Base Information

• Chemical Name: N-cyclohexyl-N-methylthiourea
• CAS No.: 68267-50-5
• Molecular Formula: C8H16N2S
• Molecular Weight: 172.29100
• DSSTox Substance ID: DTXSID50501552
• Wikidata: Q82354007
• Mol file: 68267-50-5.mol

Synonyms:68267-50-5;N-cyclohexyl-N-methylthiourea;1-cyclohexyl-1-methylthiourea;DTXSID50501552;AKOS000138762;N-Cyclohexyl-N-methylthiourea, AldrichCPR

Chemical Property of N-cyclohexyl-N-methylthiourea

Chemical Property:

• Vapor Pressure: 0.00987mmHg at 25°C
• Boiling Point: 264.2oC at 760 mmHg
• Flash Point: 113.6oC
• PSA: 65.89000
• Density: 1.08g/cm3
• LogP: 2.21520
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 172.10341969
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

N-Cyclohexyl-N-methylthiourea AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1CCCCC1)C(=S)N

Technology Process of N-cyclohexyl-N-methylthiourea

There total 4 articles about N-cyclohexyl-N-methylthiourea 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:

N-methylcyclohexylamine (100-60-7) → 1-cyclohexyl-1-methylthiourea (68267-50-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 12 h / 20 °C

2: hydrazine hydrate / 3 h / 20 °C

With hydrazine hydrate; In dichloromethane;

DOI:10.1021/acs.jmedchem.9b01416

Reference yield:

1-benzoyl-(3-cyclohexyl-3-methyl)thiourea → 1-cyclohexyl-1-methylthiourea (68267-50-5)

Guidance literature:

With hydrazine hydrate; at 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.9b01416

Reference yield:

N-methylcyclohexylamine (100-60-7) + triphenylphosphine-thiocyanogen (66365-41-1) + diethylamine (109-89-7) → 1-cyclohexyl-1-methylthiourea (68267-50-5)

Guidance literature:

In dichloromethane; acetonitrile;

DOI:10.1016/0040-4039(78)80035-5

upstream raw materials:

N-methylcyclohexylamine

triphenylphosphine-thiocyanogen

diethylamine