Thiourea, N-(2-hydroxyethyl)-N'-phenyl-

Base Information

• Chemical Name: Thiourea, N-(2-hydroxyethyl)-N'-phenyl-
• CAS No.: 102-12-5
• Molecular Formula: C9H12 N2 O S
• Molecular Weight: 196.273
• Hs Code.: 2930909090
• European Community (EC) Number: 652-062-9
• NSC Number: 90821
• DSSTox Substance ID: DTXSID60144510
• Nikkaji Number: J423.373E
• Mol file: 102-12-5.mol

Synonyms:1-(2-hydroxyethyl)-3-phenylthiourea;102-12-5;Thiourea, N-(2-hydroxyethyl)-N'-phenyl-;N-(2-Hydroxyethyl)-N'-phenylthiourea;1-Phenyl-3-(2-hydroxyethyl)thiourea;3-(2-HYDROXYETHYL)-1-PHENYLTHIOUREA;N-Phenyl-N'-.beta.-hydroxyethylthiourea;Urea, 1-(2-hydroxyethyl)-3-phenyl-2-thio-;NSC90821;ChemDiv3_000588;WLN: SUYMR & M2Q;CBDivE_003669;CBDivE_004082;2-Hydroxyethyl phenyl thiourea;SCHEMBL5138189;DTXSID60144510;HMS1474K16;HMS1649C15;CCG-2276;BBL022933;MFCD00022123;NSC 90821;NSC-90821;STL283910;STL477522;AKOS002710497;AKOS003241062;SDCCGMLS-0064663.P001;NCGC00172713-01;1-(2-Hydroxyethyl)-3-phenyl-2-thiourea;N-(2-Hydroxyethyl)-N'-phenylthiourea #;VS-07282;CS-0315324;D97208;SR-01000398314;N-(2-hydroxyethyl)-N'-phenylcarbamimidothioic acid;SR-01000398314-1;BRD-K81117311-001-01-1;F0081-0015

Chemical Property of Thiourea, N-(2-hydroxyethyl)-N'-phenyl-

Chemical Property:

• Vapor Pressure: 5.97E-05mmHg at 25°C
• Boiling Point: 332°C at 760 mmHg
• Flash Point: 154.6°C
• PSA: 76.38000
• Density: 1.281g/cm³
• LogP: 1.42920
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.06703418
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2-Hydroxyethyl)-3-phenylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NCCO

Technology Process of Thiourea, N-(2-hydroxyethyl)-N'-phenyl-

There total 4 articles about Thiourea, N-(2-hydroxyethyl)-N'-phenyl- 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%

phenyl isothiocyanate (103-72-0) + ethanolamine (141-43-5) → N-2-hydroxyethyl-N'-phenylthiourea (102-12-5)

Guidance literature:

Reference yield: 78.0%

phenyldithiocarbamic acid triethylamine salt (43009-16-1) + ethanolamine (141-43-5) → N-2-hydroxyethyl-N'-phenylthiourea (102-12-5)

Guidance literature:

With ammonium cerium (IV) nitrate; oxygen; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1039/c4ra04628e

Reference yield: 77.0%

ethanolamine (141-43-5) + N,N-diphenylthiourea (102-08-9) → N-2-hydroxyethyl-N'-phenylthiourea (102-12-5)

Guidance literature:

With triethylamine; In acetonitrile; for 2.5h; Heating;

DOI:10.1016/0040-4039(93)85067-7

upstream raw materials:

phenyl isothiocyanate

ethanolamine

N,N-diphenylthiourea

phenyldithiocarbamic acid triethylamine salt

Downstream raw materials:

(4,5-dihydro-thiazol-2-yl)-phenyl-amine

1-(2-hydroxyethyl)-3-phenylurea

2-β-hydroxyethylaminobenzothiazole

4,5-dihydro-N-phenyl-2-oxazolamine

Refernces

• 1、 Houle, Camille,Savoie, Paul R.,Davies, Clotilde,Jardel, Damien,Champagne, Pier Alexandre,Bibal, Brigitte,Paquin, Jean-Fran?ois. "Thiourea-Catalyzed C?F Bond Activation: Amination of Benzylic Fluorides". supporting information. p. 10620 - 10625. Retrieved 2020/07/24.
• 2、 Ansari, Mohammad Fawad,Inam, Afreen,Ahmad, Kamal,Fatima, Shehnaz,Agarwal, Subhash M.,Azam, Amir. "Synthesis of metronidazole based thiazolidinone analogs as promising antiamoebic agents". supporting information. . Retrieved 2020/10/12.