methyl N-methyl-(methylamino)methanimidothioate hydroiodide

Base Information

• Chemical Name: methyl N-methyl-(methylamino)methanimidothioate hydroiodide
• CAS No.: 6966-83-2
• Molecular Formula: C4H10N2S
• Molecular Weight: 118.2006
• Hs Code.: 2930909899
• NSC Number: 68159
• DSSTox Substance ID: DTXSID50989795
• Mol file: 6966-83-2.mol

Synonyms:6966-83-2;methyl N-methyl-(methylamino)methanimidothioate hydroiodide;methyl N,N'-dimethylcarbamimidothioate;hydroiodide;methyl N,N'-dimethylcarbamimidothioate hydroiodide;SCHEMBL1545546;DTXSID50989795;VAKZYIIFXHRFIA-UHFFFAOYSA-N;NSC68159;NSC-68159;AKOS033024048;N,N',S-trimethylisothiourea hydriodide;SS-5126;N,N',S-trimethyl-isothiourea hydriodide;CS-0301298;FT-0675625;Methyl N,N/'-dimethylcarbamimidothioate hydroiodide;Z107728778;(Z)-N,N'-dimethyl(methylsulfanyl)methanimidamide hydroiodide;Methyl N,N'-dimethylcarbamimidothioate--hydrogen iodide (1/1);S,N,N inverted exclamation mark -Trimethylisothiouronium Iodide

Chemical Property of methyl N-methyl-(methylamino)methanimidothioate hydroiodide

Chemical Property:

• Melting Point: 210 °C
• Boiling Point: 159.8°Cat760mmHg
• Flash Point: 50.5°C
• PSA: 49.69000
• Density: 1g/cm³
• LogP: 1.94370
• Storage Temp.: -20°C Freezer
• Solubility.: Water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 245.96877
• Heavy Atom Count: 8
• Complexity: 70.1

Purity/Quality:

97% ^*data from raw suppliers

S,N,N’-TrimethylisothiouroniumIodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=NC)SC.I
• Uses: S,N,N’-Trimethylisothiouronium Iodide (cas# 6966-83-2) is a compound useful in organic synthesis.

Technology Process of methyl N-methyl-(methylamino)methanimidothioate hydroiodide

There total 4 articles about methyl N-methyl-(methylamino)methanimidothioate hydroiodide 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%

N,N-dimethylthiourea (534-13-4) + methyl iodide (74-88-4) → methyl N,N'-dimethyl-imidothiocarbamate hydroiodide (6966-83-2)

Guidance literature:

In ethanol; for 12h;

DOI:10.1055/s-0037-1610735

Reference yield:

N,N-dimethylthiourea (534-13-4) + methyl iodide (74-88-4) → S-methyl-N,N'-dimethylisothiourea hydroiodide (6966-83-2)

Guidance literature:

In ethanol;

Reference yield:

N,N-dimethylthiourea (534-13-4) + methyl iodide (74-88-4) → N,N'-dimethyl-S-methylisothiouronium iodide (6966-83-2)

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1021/jo0513820

upstream raw materials:

1,1-dimethyl-2-thiourea

methyl iodide

N,N-dimethylthiourea

Downstream raw materials:

3-(3,5-difluorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole

[5-(3,5-difluoro-phenyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-methyl-amine

N-(4-Bromo-benzo[b]thiophen-2-ylmethyl)-N',N''-dimethyl-guanidine; compound with toluene-4-sulfonic acid

Refernces

• 1、 Karaghiosoff, Konstantin,Klapoetke, Thomas M.,Mayer, Peter,Piotrowski, Holger,Polborn, Kurt,Willer, Rodney L.,Weigand, Jan J.. "N-nitroso- and N-nitraminotetrazoles". . p. 1295 - 1305. Retrieved 2007/10/03.