Tert-butylthiourea

Base Information

• Chemical Name: Tert-butylthiourea
• CAS No.: 7204-48-0
• Molecular Formula: C5H12N2S
• Molecular Weight: 132.23
• Hs Code.: 2930909899
• European Community (EC) Number: 640-755-9
• DSSTox Substance ID: DTXSID90353234
• Nikkaji Number: J1.482.999G
• Wikidata: Q72504335
• Mol file: 7204-48-0.mol

Synonyms:tert-butylthiourea;7204-48-0;1-tert-Butyl-2-thiourea;1-(tert-Butyl)thiourea;1-tert-butylthiourea;N-(tert-butyl)thiourea;tert-Butyl-thiourea;Thiourea,N-(1,1-dimethylethyl)-;t-butylthiourea;n-tertbutylthiourea;tert-butyl thiourea;N-(t-butyl)thiourea;SCHEMBL80295;SCHEMBL8344601;DTXSID90353234;HMS1725L03;AMY11605;4,4-DIPYRIDYLDIHYDROCHLORIDE;MFCD00041192;AKOS001045250;AC-2400;CS-W013403;AS-59246;A9396;FT-0636388;EN300-17530;D95564;Z56948375

Chemical Property of Tert-butylthiourea

Chemical Property:

• Vapor Pressure: 0.637mmHg at 25°C
• Melting Point: 171-172°C
• Refractive Index: 1.527
• Boiling Point: 187.2 °C at 760 mmHg
• Flash Point: 67 °C
• PSA: 70.14000
• Density: 1.028 g/cm³
• LogP: 1.70930
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 132.07211956
• Heavy Atom Count: 8
• Complexity: 93.1

Purity/Quality:

99% ^*data from raw suppliers

1-tert-Butyl-2-thiourea ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=S)N

Technology Process of Tert-butylthiourea

There total 5 articles about Tert-butylthiourea 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: 99.0%

N-benzoyl-N'-t-butylthiourea (22283-39-2) → N-(t-butyl)thiourea (7204-48-0)

Guidance literature:

With hydrazine; at 25 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2005.06.135

Reference yield: 89.0%

ammonium thiocyanate + tert-butylamine (75-64-9) → N-(t-butyl)thiourea (7204-48-0)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 20h;

Reference yield:

tert-butylisonitrile (119072-55-8,7188-38-7) → N-(t-butyl)thiourea (7204-48-0)

Guidance literature:

With sulfur; ammonium hydroxide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; In water; at 80 ℃; for 0.5h;

DOI:10.1002/ejoc.202100548

upstream raw materials:

tert-butyl isothiocyanate

N-benzoyl-N'-t-butylthiourea

tert-butylamine

tert-butylisonitrile

Downstream raw materials:

tert-butyl cyanamide

N-(tosylmethyl)-N'-tert-butylthiourea

C₁₂H₁₇ClN₄S*ClH

5-phenyl-2-(tert-butylamino)oxazole

Refernces

• 1、 ábrányi-Balogh, Péter,Domján, Attila,Gao, Qinghe,Han, Xinya,Keser?, Gy?rgy M.,Marlok, Bence,Németh, András Gy.. "Convenient Multicomponent One-Pot Synthesis of 2-Iminothiazolines and 2-Aminothiazoles Using Elemental Sulfur Under Aqueous Conditions". supporting information. p. 3587 - 3597. Retrieved 2021/07/22.
• 2、 Kodomari, Mitsuo,Suzuki, Masato,Tanigawa, Keiko,Aoyama, Tadashi. "A convenient and efficient method for the synthesis of mono- and N,N-disubstituted thioureas". . p. 5841 - 5843. Retrieved 2007/10/03.