ETHYLTHIOUREA

Base Information

• Chemical Name: ETHYLTHIOUREA
• CAS No.: 625-53-6
• Molecular Formula: C3H8 N2 S
• Molecular Weight: 104.176
• European Community (EC) Number: 210-899-3
• NSC Number: 62921
• UNII: U54OR2E97E
• DSSTox Substance ID: DTXSID0060804
• Nikkaji Number: J54.440J
• Wikidata: Q26840919
• ChEMBL ID: CHEMBL116961
• Mol file: 625-53-6.mol

Synonyms:Thiourea,ethyl- (9CI); Urea, 1-ethyl-2-thio- (6CI,7CI,8CI); 1-Ethyl-2-thiourea;1-Ethylthiourea; ENT 61326; Ethylthiourea; N-Ethylthiocarbamide;N-Ethylthiourea; NSC 62921

Chemical Property of ETHYLTHIOUREA

Chemical Property:

• Melting Point: 108-110 °C(lit.)
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 132 °C
• PKA: 14.97±0.29(Predicted)
• PSA: 70.14000
• Density: 1.182g/cm³
• LogP: 0.93070
• Storage Temp.: Store at RT
• Solubility.: methanol: soluble25mg/mL, clear, colorless
• Water Solubility.: Soluble in water (24g/L).
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 104.04081944
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

99% ^*data from raw suppliers

Ethylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Thiourea Compounds
• Canonical SMILES: CCNC(=S)N
• Uses: N-Ethylthiourea was used in the preparation of Re (III) complexes, which are precursors for the new rhenium complexes, potentially useful in nuclear medicine. It was also used in two-step protocol for the first chemoselective cleavage of 2-hydroxy acid amides

Technology Process of ETHYLTHIOUREA

There total 14 articles about ETHYLTHIOUREA 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%

Ethyl isothiocyanate (542-85-8) → ethyl-2-thiourea (625-53-6)

Guidance literature:

With ammonia; In 1,2-dimethoxyethane;

DOI:10.1055/s-0031-1290963

Reference yield: 95.0%

1-ethyl-6-hydroxy-4,4,6-trimethyl-tetrahydro-pyrimidine-2-thione (27406-61-7) → ethyl-2-thiourea (625-53-6)

Guidance literature:

at 150 - 160 ℃; for 8h;

Reference yield: 90.0%

1-ethyl-4,4,6-trimethyl-1,4-dihydropyrimidine-2(3H)thione (18957-52-3) → ethyl-2-thiourea (625-53-6)

Guidance literature:

With hydrogenchloride; at 100 - 110 ℃; for 4h;

upstream raw materials:

Ethyl isothiocyanate

O-ethyl thiocarbamate

ethylamine

N-tert-butyl-N'-ethylthiourea

Downstream raw materials:

2-(ethylcarbamimidoylmercapto-methyl)-5-hydroxy-pyran-4-one; hydrochloride

2-ethylamino-5-methyl-4,5-dihydrothiazol-4-one

S-<2-Trimethylamino-ethyl>-1-ethylisothiuroniumbromid-hydrobromid

2-ethylamino-5-phenyl-thiazol-4-one

Refernces

• 1、 Nam, Kee Dal,Han, Minsoo,Yoon, Jun,Kim, Eun-A,Cho, Sung-Woo,Hahn, Hoh-Gyu. "2-amino-1,3-thiazoles suppressed lipopolysaccharide-induced il-β and TNF-α". . p. 271 - 274. Retrieved 2013/08/24.
• 2、 Guiheneuf, Solene,Paquin, Ludovic,Carreaux, Francois,Durieu, Emilie,Meijer, Laurent,Bazureau, Jean Pierre. "An efficient approach to dispacamide A and its derivatives". experimental part. p. 978 - 987. Retrieved 2012/04/10.