Tetramethylthiourea

Base Information

• Chemical Name: Tetramethylthiourea
• CAS No.: 2782-91-4
• Molecular Formula: C5H12N2S
• Molecular Weight: 132.23
• Hs Code.: 29309070
• European Community (EC) Number: 220-488-0
• NSC Number: 102499
• UNII: J6T67A1P72
• DSSTox Substance ID: DTXSID5026126
• Nikkaji Number: J1.056.682G,J54.446I
• Wikipedia: Tetramethylthiourea
• Wikidata: Q22159079
• ChEMBL ID: CHEMBL12214
• Mol file: 2782-91-4.mol

Synonyms:tetramethylthiourea

Chemical Property of Tetramethylthiourea

Chemical Property:

• Appearance/Colour: White crystals
• Vapor Pressure: 0.0294mmHg at 25°C
• Melting Point: 75-77 °C(lit.)
• Refractive Index: 1.523
• Boiling Point: 245 °C at 760 mmHg
• PKA: 1.50±0.50(Predicted)
• Flash Point: 102 °C
• PSA: 38.57000
• Density: 1.013 g/cm³
• LogP: 0.39450
• Storage Temp.: 2-8°C
• Solubility.: 32g/l
• Water Solubility.: 32 g/L (20 ºC)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.07211956
• Heavy Atom Count: 8
• Complexity: 78.4

Purity/Quality:

98.0% Min., ^*data from raw suppliers

Tetramethylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-20/21/22
• Safety Statements: 22-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Thiourea Compounds
• Canonical SMILES: CN(C)C(=S)N(C)C
• Uses: As a drug. Tetramethylthiourea forms BF3 adduct with tetramethylselenourea.

Technology Process of Tetramethylthiourea

There total 39 articles about Tetramethylthiourea 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: 89.0%

tetramethylurea (632-22-4) → 1,1,3,3-tetramethyl-2-thiourea (2782-91-4)

Guidance literature:

With 2C₆H₁₅N*ClH*Cl₂HOPS; In chloroform; for 10h; Reflux;

DOI:10.1134/S1070363208070098

Reference yield: 85.0%

tetramethylthiourea monoxide → 1,1,3,3-tetramethyl-2-thiourea (2782-91-4)

Guidance literature:

With hexamethyldisilathiane; In tetrahydrofuran; Heating;

Reference yield: 85.0%

thiophosgene (463-71-8) + N,N-Dimethyltrimethylsilylamine (2083-91-2) → 1,1,3,3-tetramethyl-2-thiourea (2782-91-4)

Guidance literature:

In diethyl ether; for 5h; Heating;

upstream raw materials:

Thiram

bis(dimethylthiocarbamoyl)sulfide

thiophosgene

dimethyl amine

Downstream raw materials:

N,N,N',N',S-pentamethylthiuronium iodide

N?[bis(dimethylamino)methylene]?4?chlorobenzenesulfonamide

N,N'-Tetramethylcarbamimidothioic acid phenylmethyl ester iodide

2-(2-ethoxy-2-oxo-1-phenylethyl)-1,1,3,3-tetramethylthiouronium bromide

Refernces

• 1、 -. "METHOD FOR ALKYLATING A MOLECULE OR AN ION". Page/Page column 34. . Retrieved 2019/04/16.
• 2、 Bezgubenko,Pipko,Sinitsa. "Dichlorothiophosphoric acid and dichlorothiophosphate anion as thionating agents in the synthesis of thioamides". experimental part. p. 1341 - 1344. Retrieved 2009/02/07.