N-Methylthiourea

Base Information

• Chemical Name: N-Methylthiourea
• CAS No.: 598-52-7
• Molecular Formula: C2H6N2S
• Molecular Weight: 90.149
• Hs Code.: 29309090
• European Community (EC) Number: 209-936-6
• NSC Number: 30213
• UNII: HRK3DMO87X
• DSSTox Substance ID: DTXSID90208533
• Nikkaji Number: J2.719G
• ChEMBL ID: CHEMBL4475870
• Mol file: 598-52-7.mol

Synonyms:1-methylthiourea;N-methylthiourea

Chemical Property of N-Methylthiourea

Chemical Property:

• Appearance/Colour: white to light yellow crystalline powder
• Vapor Pressure: 5.95mmHg at 25°C
• Melting Point: 118-121 °C(lit.)
• Refractive Index: 1.564
• Boiling Point: 141.082 °C at 760 mmHg
• PKA: 14.98±0.70(Predicted)
• Flash Point: 39.126 °C
• PSA: 70.14000
• Density: 1.141 g/cm³
• LogP: 0.54060
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in water
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 90.02516937
• Heavy Atom Count: 5
• Complexity: 42.9

Purity/Quality:

99% ^*data from raw suppliers

N-Methylthiourea ^*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:

• Canonical SMILES: CNC(=S)N

Technology Process of N-Methylthiourea

There total 30 articles about N-Methylthiourea 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: 100.0%

methyl thioisocyanate (556-61-6) → 1-(methyl)-thiourea (598-52-7)

Guidance literature:

With ammonia; at 0 ℃; under 375.03 Torr;

DOI:10.1016/S0040-4020(00)00511-1

Reference yield: 92.0%

1,4,4,6-tetramethyl-1,4,5,6-tetrahydro-6-hydroxypyrimidine-2(3H)-thione (27406-60-6) → 1-(methyl)-thiourea (598-52-7)

Guidance literature:

at 150 - 160 ℃; for 8h;

Reference yield: 90.0%

1,4,4,6-tetramethyl-1,4-dihydropyrimidine-2(3H)-thione (37929-27-4) → 1-(methyl)-thiourea (598-52-7)

Guidance literature:

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

upstream raw materials:

S-methyl N-methyl dithiocarbamate

Methyldithiocarbamidsaeure-ethylester

methylammonium thiocyanate

methyl thioisocyanate

Downstream raw materials:

1,6-dimethylpyrimidine-2,4(1H,3H)-dione

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

2-S-Benzyl-1-methylisothiocarbamide

2-methylaminothiazole