[Amino(methylthio)methylidene]ammonium iodide

Base Information

• Chemical Name: [Amino(methylthio)methylidene]ammonium iodide
• CAS No.: 4338-95-8
• Molecular Formula: C2H6 N2 S . H I
• Molecular Weight: 218.061
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30195837
• Mol file: 4338-95-8.mol

Synonyms:2-Methylisothiouronium iodide;[Amino(methylthio)methylidene]ammonium iodide;s-methylisothiuronium iodide;SCHEMBL5245678;DTXSID30195837;NS00031337

Chemical Property of [Amino(methylthio)methylidene]ammonium iodide

Chemical Property:

• Vapor Pressure: 6.62mmHg at 25°C
• Melting Point: 82 °C
• Boiling Point: 138.8°Cat760mmHg
• Flash Point: 37.7°C
• PSA: 75.17000
• Density: 1.26g/cm³
• LogP: 2.04110
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.93747
• Heavy Atom Count: 6
• Complexity: 37.4

Purity/Quality:

97% ^*data from raw suppliers

Methyl aminomethanimidothioate hydroiodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: CSC(=[NH2+])N.[I-]
• Uses: 2-Methyl-2-isothiourea Hydriodide is used as a reactant in the synthesis of alkyl/acyl guanidines and pyrimidine derivatives. It can also be used as a catalyst in the rearrangement of penicillin 1-oxides.

Technology Process of [Amino(methylthio)methylidene]ammonium iodide

There total 6 articles about [Amino(methylthio)methylidene]ammonium iodide 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%

thiourea (17356-08-0) + methyl iodide (74-88-4) → S-methylthiouronium iodide (4338-95-8)

Guidance literature:

In ethanol; at 20 ℃; for 12h;

DOI:10.1055/s-0033-1340904

Reference yield: 91.0%

thiourea (30738-99-9) + methyl iodide (74-88-4) → S-methylthiouronium iodide (4338-95-8)

Guidance literature:

In ethanol; for 2h; Reflux;

DOI:10.1016/j.jorganchem.2020.121243

Reference yield: 72.3%

→ S-methylthiouronium iodide (4338-95-8)

Guidance literature:

upstream raw materials:

thiourea

methyl iodide

thiourea

Downstream raw materials:

(4-amino-phenyl)-guanidine; hydriodide

Creatinine

S-(3-Guanidino-propyl)-thioschwefelsaeure

S-<2-(1-Methyl-guanidino)-aethyl>-thioschwefelsaeure