4-Methylimidazolidine-2-thione

Base Information

• Chemical Name: 4-Methylimidazolidine-2-thione
• CAS No.: 2122-19-2
• Deprecated CAS: 2122-20-5
• Molecular Formula: C4H8 N2 S
• Molecular Weight: 116.187
• Hs Code.: 2933990090
• NSC Number: 68394,31254
• UNII: 63849722NS
• DSSTox Substance ID: DTXSID3052694
• Nikkaji Number: J40.913H
• Mol file: 2122-19-2.mol

Synonyms:4-Methylimidazolidine-2-thione;2122-19-2;2-Imidazolidinethione, 4-methyl-;PROPYLENE THIOUREA;Propilentiourea;4-Methyl-2-imidazolidinethione;2-Imidazoline-2-thiol, 4-methyl-;Propylenthioharnstoff;PLTU;N,N'-(1,2-Propylene)thiourea;4-Methylethylenethiourea;N,N'-(1,2-Propylene)-thiourea;NSC 31254;NSC 68394;NSC-31254;NSC-68394;N,2-Propylene)-thiourea;63849722NS;NSC68394;4-methylimidazoline-2-thione;4-methylimidazolidin-2-thione;SCHEMBL534626;DTXSID3052694;UNII-63849722NS;CAA12219;NSC31254;MFCD00121569;AKOS006222114;AKOS021982308;4-Methyl-1,3-diazacyclopentan-2-thione;2-IMIDAZOLINE-2-THIOL, 5-METHYL-;CS-0090570;FT-0694315;EN300-96150;Propylene thiourea, PESTANAL(R), analytical standard;Q27263578;3-[5-(3,4-DIMETHOXY-BENZYLIDENE)-4-OXO-2-THIOXO-THIAZOLIDIN-3-YL]-PROPIONICACID

Chemical Property of 4-Methylimidazolidine-2-thione

Chemical Property:

• Vapor Pressure: 2.77mmHg at 25°C
• Melting Point: 102-104 °C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 157.3°Cat760mmHg
• PKA: 15.35±0.40(Predicted)
• Flash Point: 49°C
• PSA: 56.15000
• Density: 1.19g/cm³
• LogP: 0.51020
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly, Sonicated), Methanol (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.04081944
• Heavy Atom Count: 7
• Complexity: 91.7

Purity/Quality:

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

N,N''-(1,2-Propylene)thiourea ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-52/53-63
• Safety Statements: 36/37-46-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CNC(=S)N1
• Uses: 4-METHYLIMIDAZOLIDINE-2-THIONE is an intermediate used in various organic chemical reactions such as the preparation of aryl 2-Iminoimidazoline derivatives. N,N''-(1,2-Propylene)thiourea is an intermediate used in various organic chemical reactions such as the preparation of aryl 2-Iminoimidazoline derivatives.

Technology Process of 4-Methylimidazolidine-2-thione

There total 9 articles about 4-Methylimidazolidine-2-thione 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: 75.0%

carbon disulfide (75-15-0,12122-00-8) + 1,2-diaminopropan (78-90-0,10424-38-1) → 2-mercapto-4-methyl-4,5-dihydroimidazole (2122-19-2)

Guidance literature:

In ethanol; at 40 ℃; for 0.25h;

DOI:10.1016/S0014-827X(99)00115-9

Reference yield: 65.0%

carbon disulfide (75-15-0,12122-00-8) + 1,2-diaminopropan (78-90-0,10424-38-1) → (rac)-4-methylimidazolidine-2-thione (2122-19-2)

Guidance literature:

carbon disulfide; 1,2-diaminopropan; In ethanol; for 1h; Heating;

With hydrogenchloride; In ethanol; for 10h; Heating;

Reference yield: 53.0%

5-methyl-2-thiohydantoin (33368-94-4,37712-67-7) → (rac)-4-methylimidazolidine-2-thione (2122-19-2)

Guidance literature:

5-methyl-2-thiohydantoin; With dimethylsulfide borane complex; In tetrahydrofuran; at 85 ℃; for 17h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; methanol; at 85 ℃; for 1h;

DOI:10.1016/j.tetlet.2012.06.042

upstream raw materials:

4-Methyl-2-methylsulfanyl-4,5-dihydro-imidazole-1-carbodithioic acid methyl ester

carbon disulfide

1,2-diaminopropan

5-methyl-2-thiohydantoin

Downstream raw materials:

4-Methyl-2-methylsulfanyl-4,5-dihydro-imidazole-1-carbodithioic acid methyl ester

4⁽⁵⁾-methyl-2-(methylthio)-2-imidazoline hydroiodide

1,3-di(tert-butoxycarbonyl)-4-methylimidazolidine-2-thione

2-(4-chloro-benzylidene)-5-methyl-5,6-dihydro-imidazo[2,1-b]thiazol-3-one