Methyl aminomethanimidothioate hydroiodide

Base Information

• Chemical Name: Methyl aminomethanimidothioate hydroiodide
• CAS No.: 4338-95-8
• Molecular Formula: C2H6 N2 S . H I
• Molecular Weight: 218.061
• Hs Code.: 2930909090
• European Community (EC) Number: 224-391-4
• NSC Number: 142512
• Mol file: 4338-95-8.mol

Synonyms:4338-95-8;Methyl aminomethanimidothioate hydroiodide;Sulfiode;methyl carbamimidothioate hydroiodide;methyl carbamimidothioate;hydroiodide;Methylthiouronium iodide;S-Methylthiuronium iodide;S-Methylthiouronium iodide;S-Methylisothiouronium iodide;2-Methyl-2-thiopseudourea hydroiodide;2-Methylisothiouronium iodide;S-Methylisothiourea hydriodide;EINECS 224-391-4;NSC 142512;C2H6N2S.HI;AI3-62929;Psuedourea, 2-methyl-2-thio-, monohydriodide;Carbamimidothioic acid, methyl ester, monohydriodide;(methylsulfanyl)methanimidamide hydroiodide;Pseudourea, 2-methyl-2-thio-, hydriodide;S-Methylisothiourea sulfate;C2-H6-N2-S;2-Methyl-isothiourea;hydriodide;2-Methyl-isothiourea HI;SCHEMBL916721;S-Methylisothiourea hydroiodide;2-Methyl-isothiourea hydriodide;S-methyl-isothiourea hydroiodide;S-Methylpseudothioharnstoffhydrojodid;MFCD00035598;NSC142512;Carbamimidothioic acid, monohydriodide;AKOS015996770;NSC-142512;AS-19809;METHYL CARBAMIMIDOTHIOATEHYDROIODIDE;S-methylisothiopseudouronium monohydroiodide;LS-126192;CS-0199730;FT-0635238;METHYLAMINOMETHANIMIDOTHIOATEHYDROIODIDE;EN300-412490;A826261;J-522587;methyl aminomethanimidothioate hydroiodide, AldrichCPR;Carbamimidothioic acid, methyl ester, monohydriodide (9CI);2-methylisothiourea hydroiodide

Chemical Property of Methyl aminomethanimidothioate hydroiodide

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: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.93747
• Heavy Atom Count: 6
• Complexity: 42.9

Purity/Quality:

99% ^*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(=N)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 Methyl aminomethanimidothioate hydroiodide

There total 6 articles about Methyl aminomethanimidothioate 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%

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

S-(3-Guanidino-propyl)-thioschwefelsaeure

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

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

Refernces

• 1、 Plano, Daniel,Sanmartin, Carmen,Moreno, Esther,Prior, Celia,Calvo, Alfonso,Palop, Juan Antonio. "Novel potent organoselenium compounds as cytotoxic agents in prostate cancer cells". . p. 6853 - 6859. Retrieved 2007.
• 2、 Santos, Sabrina Neves,Alves De Souza, Gabriela,Pereira, Thiago Moreira,Franco, Daiana Portella,De Nigris Del Cistia, Catarina,Sant'anna, Carlos Mauricio R.,Lacerda, Renata Barbosa,Kümmerle, Arthur Eugen. "Regioselective microwave synthesis and derivatization of 1,5-diaryl-3-amino-1,2,4-triazoles and a study of their cholinesterase inhibition properties". . p. 20356 - 20369. Retrieved 2019/07/09.