5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one

Base Information

• Chemical Name: 5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one
• CAS No.: 4370-90-5
• Molecular Formula: C12H14 N2 O S2
• Molecular Weight: 266.388
• Hs Code.: 2933990090
• European Community (EC) Number: 224-464-0
• DSSTox Substance ID: DTXSID80963104
• Nikkaji Number: J54.013G
• Mol file: 4370-90-5.mol

Synonyms:Pth-methionine;4370-90-5;5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one;Phenylthiohydantoin-methionine;Methionine phenylthiohydantoin;Methionyl phenylthiohydantoin;EINECS 224-464-0;5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one;Hydantoin, 5-(2-methylthioethyl)-3-phenyl-2-thio-;4-Imidazolidinone, 5-(2-(methylthio)ethyl)-3-phenyl-2-thioxo-;4-Imidazolidinone, 5-[2-(methylthio)ethyl]-3-phenyl-2-thioxo-;5-[2-(methylthio)ethyl]-3-phenyl-2-sulfanylidene-4-imidazolidinone;5-[2-(Methylthio)ethyl]-3-phenyl-2-thiohydantoin;5-[2-(methylthio)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one;CBMicro_034720;Methionyl phenylthiohydantoin;DTXSID80963104;KALSXWPXUWRLOH-UHFFFAOYSA-N;MFCD00038433;STL304865;AKOS022121111;AS-81704;LS-76253;BIM-0034850.P001;CS-0327307;FT-0635248;P0366;T72476;A826403;Hydantoin, 5-[2-(methylthio)ethyl]-3-phenyl-2-thio-;5-[2-(Methylsulfanyl)ethyl]-3-phenyl-2-thioxo-4-imidazolidinone #;5-[2-(methylsulfanyl)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one;5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylidene-imidazolidin-4-one;5-[2-(methylsulfanyl)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one;5-[2-(Methylsulfanyl)ethyl]-3-phenyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one

Chemical Property of 5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one

Chemical Property:

• Vapor Pressure: 4.15E-06mmHg at 25°C
• Melting Point: 180°C
• Boiling Point: 384.2°Cat760mmHg
• PKA: 10.85±0.40(Predicted)
• Flash Point: 186.2°C
• PSA: 89.73000
• Density: 1.32g/cm³
• LogP: 2.42320
• Storage Temp.: −20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 266.05475542
• Heavy Atom Count: 17
• Complexity: 303

Purity/Quality:

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

Phenylthiohydantoin-methionine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSCCC1C(=O)N(C(=S)N1)C2=CC=CC=C2

Technology Process of 5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one

There total 2 articles about 5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one 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: 70.0%

phenyl isothiocyanate (103-72-0) + DL-methionine (59-51-8,26062-47-5,58576-49-1) → 5-[2-(methylthio)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one (4370-90-5)

Guidance literature:

phenyl isothiocyanate; DL-methionine; With triethylamine; In 1,4-dioxane; water; at 0 ℃;

With hydrogenchloride; In 1,4-dioxane; water; at 0 - 50 ℃; for 12h; pH=Ca. 2;

DOI:10.1002/chem.201800506

Reference yield:

→ 5-[2-(methylthio)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one (4370-90-5)

Guidance literature:

/BRN= 471392/, 1) L-Methionin, wss. Dioxan, Na2CO3, N2, 40grad, Kond., 2) konz. HCl, N2, 40grad;

DOI:10.1002/hlca.19630460440

Reference yield: 64.0%

nickel(II) chloride hexahydrate + 5-[2-(methylthio)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one (4370-90-5) → [NiCl(5-[2-(methylthio)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one(-1H))]

Guidance literature:

With triethylamine; In ethanol; soln. of Ni salt in EtOH added to soln. of ligand in hot EtOH; Et3N added to soln. under reflux; mixt. refluxed for 10 h; cooled to ca. 20°C; ppt. filtered off; elem. anal.;

DOI:10.1007/s11172-007-0057-5

upstream raw materials:

phenyl isothiocyanate

DL-methionine

Downstream raw materials:

[CuCl(5-[2-(methylthio)ethyl]-3-phenyl-2-thioxoimidazolidin-4-one(-1H))]2

Refernces