Cyclohexylthiourea

Base Information

• Chemical Name: Cyclohexylthiourea
• CAS No.: 5055-72-1
• Molecular Formula: C7H14 N2 S
• Molecular Weight: 158.268
• Hs Code.: 2930909090
• European Community (EC) Number: 673-997-9
• NSC Number: 34636
• UNII: BZE8855DMD
• DSSTox Substance ID: DTXSID30198585
• Nikkaji Number: J23.463J
• Mol file: 5055-72-1.mol

Synonyms:Cyclohexylthiourea;1-Cyclohexyl-2-thiourea;5055-72-1;1-cyclohexylthiourea;N-Cyclohexylthiourea;Thiourea, cyclohexyl-;Urea, 1-cyclohexyl-2-thio-;Cyclohexyl-thiourea;Thiourea, cyclohexyl- (9CI);NSC 34636;BRN 2689850;BZE8855DMD;MFCD00060341;NSC-34636;NSC34636;N-cyclohexyl thiourea;N'-cyclohexyl-thio-urea;WLN: L6TJ AMYZUS;UNII-BZE8855DMD;SCHEMBL1528011;THIOUREA, N-CYCLOHEXYL-;DTXSID30198585;STL472871;AKOS000117158;LS-159697;C2966;FT-0682077;EN300-06716;2N-016;T70976;A828172;Z56931891

Chemical Property of Cyclohexylthiourea

Chemical Property:

• Vapor Pressure: 0.0123mmHg at 25°C
• Melting Point: 162 °C
• Boiling Point: 260.4°C at 760 mmHg
• PKA: 14.58±0.20(Predicted)
• Flash Point: 111.3°C
• PSA: 70.14000
• Density: 1.1g/cm³
• LogP: 2.24350
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.08776963
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

Cyclohexylthiourea ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=S)N

Technology Process of Cyclohexylthiourea

There total 24 articles about Cyclohexylthiourea 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: 95.0%

isothiocyanatocyclohexane (1122-82-3) → N-cyclohexylthiourea (5055-72-1)

Guidance literature:

With ammonia; In methanol; at 50 ℃; for 6h; Sealed tube;

DOI:10.1016/j.tet.2010.10.059

Reference yield: 89.0%

cyclohexylamine (108-91-8,157973-60-9) + thiourea (17356-08-0) → N-cyclohexylthiourea (5055-72-1)

Guidance literature:

With choline chloride; tin(ll) chloride; at 130 ℃; for 8h; Green chemistry;

DOI:10.1039/d1nj01827b

Reference yield: 86.0%

potassium thioacyanate (333-20-0) + cyclohexylammonium bromide (26227-54-3) → N-cyclohexylthiourea (5055-72-1)

Guidance literature:

In tetrahydrofuran; Heating;

DOI:10.1055/s-2000-7607

upstream raw materials:

O-ethyl thiocarbamate

cyclohexylamine

4-isothiocyanato-4-methylpentan-2-one

isothiocyanatocyclohexane

Downstream raw materials:

N‐cyclohexylthiazol‐2‐amine

3,3-Dimethyl-2-oxo-azetidine-1-carbothioic acid cyclohexylamide

3-(3-Cyclohexyl-thioureido)-2,2-dimethyl-propionic acid

C₂₁H₂₄FN₃OS

Refernces

• 1、 Bagherzadeh, Nastaran,Sardarian, Ali Reza,Inaloo, Iman Dindarloo. "Green and efficient synthesis of thioureas, ureas, primary: O -thiocarbamates, and carbamates in deep eutectic solvent/catalyst systems using thiourea and urea". supporting information. p. 11852 - 11858. Retrieved 2021/07/12.
• 2、 Tassini, Sabrina,Langron, Emily,Delang, Leen,Mirabelli, Carmen,Lanko, Kristina,Crespan, Emmanuele,Kissova, Miroslava,Tagliavini, Giulia,Fontò, Greta,Bertoni, Simona,Palese, Simone,Giorgio, Carmine,Ravanetti, Francesca,Ragionieri, Luisa,Zamperini, Claudio,Mancini, Arianna,Dreassi, Elena,Maga, Giovanni,Vergani, Paola,Neyts, Johan,Radi, Marco. "Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a Simplified Therapeutic Approach ?". . p. 10833 - 10847. Retrieved 2019/12/25.