Cyclohexylmethyl-thiourea

Base Information

• Chemical Name: Cyclohexylmethyl-thiourea
• CAS No.: 66892-28-2
• Molecular Formula: C8H16N2S
• Molecular Weight: 172.294
• DSSTox Substance ID: DTXSID80474023
• Nikkaji Number: J937.971A
• Wikidata: Q82303783
• Mol file: 66892-28-2.mol

Synonyms:Cyclohexylmethyl-thiourea;66892-28-2;Cyclohexylmethylthiourea;1-(cyclohexylmethyl)thiourea;Thiourea, (cyclohexylmethyl)-;N-(cyclohexylmethyl)thiourea;(cyclohexylmethyl)thiourea;SCHEMBL1605066;DTXSID80474023;GZZUQNWMRFWSAD-UHFFFAOYSA-N;AKOS009458163;SB38218;CS-0454759;FT-0770359

Chemical Property of Cyclohexylmethyl-thiourea

Chemical Property:

• PSA: 74.68000
• LogP: 2.51150
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.10341969
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

Cyclohexylmethyl-thiourea 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CNC(=S)N

Technology Process of Cyclohexylmethyl-thiourea

There total 4 articles about Cyclohexylmethyl-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: 96.0%

→ N-Cyclohexylmethylthiourea (66892-28-2)

Guidance literature:

With potassium carbonate; In ethanol; for 4h; Reflux;

Reference yield: 77.0%

N-benzoyl-N'-(cyclohexylmethyl)thiourea (145012-90-4) → N-Cyclohexylmethylthiourea (66892-28-2)

Guidance literature:

With potassium carbonate; In ethanol; for 2h; Heating;

DOI:10.1016/0223-5234(92)90185-4

Reference yield: 74.0%

cyclohexylmethyl isothiocyanate (52395-66-1) → N-Cyclohexylmethylthiourea (66892-28-2)

Guidance literature:

With ammonium hydroxide; In acetonitrile; for 19h; Ambient temperature;

DOI:10.1021/jm00082a015

upstream raw materials:

cyclohexylmethyl isothiocyanate

N-benzoyl-N'-(cyclohexylmethyl)thiourea

cyclohexylmethylamine

Downstream raw materials:

3-(cyclohexylmethyl)-2-imino-5,5-bis(4-methoxyphenyl)imidazolidin-4-one

2-((cyclohexylmethyl)amino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one

2-((cyclohexylmethyl)amino)-5-ethyl-5-methyl-1,3-thiazol-4(5H)-one

N-(cyclohexylmethyl)-N'-(carboxymethyl)guanidine