2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide

Base Information

• Chemical Name: 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide
• CAS No.: 5445-73-8
• Molecular Formula: C5H10 N2 S . H I
• Molecular Weight: 258.126
• Hs Code.: 2933599090
• NSC Number: 22197
• UNII: M9JDC94H2Z
• DSSTox Substance ID: DTXSID90202854
• Mol file: 5445-73-8.mol

Synonyms:5445-73-8;2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide;2-(Methylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydroiodide;Pyrimidinium, 1,4,5,6-tetrahydro-2-methylthio-, iodide;NSC 22197;2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine;hydroiodide;2-Methylmercapto-delta(sup 2)-tetrahydropyrimidinium iodide;NSC-22197;Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, monohydriodide;M9JDC94H2Z;C5H11N2S.I;2-(methylthio)-3,4,5,6-tetrahydropyrimidine hydroiodide;2-methylmercapto-1,4,5,6-tetrahydropyrimidine hydroiodide;AMY7072;DTXSID90202854;2-(Methylmercapto)-1,4,5,6-tetrahydropyrimidine hydroiodide;C5-H11-N2-S.I;NSC22197;MFCD00829842;WLN: T6M CN BUTJ BS1 &IH;AKOS005071380;LS-135758;CS-0453557;FT-0635716;EN300-216090;F87970;8Y-5009;A870440;J-506485;2-methylthio-1,4,5,6-tetrahydropyrimidine hydroiodide;Pyrimidinium,4,5,6-tetrahydro-2-methylthio-, iodide;1,4,5,6-Tetrahydro-2-(methylthio)pyrimidine hydriodide;2-(Methylthio)-1,4,5,6-tetrahydropyrimidinehydroiodide;2-methylsulphanyl-3,4,5,6-tetrahydropyrimidinium iodide;F2147-0307;Z104341704;2-Methylmercapto-.delta.(sup 2)-tetrahydropyrimidinium iodide;Pyrimidine,4,5,6-tetrahydro-2-(methylthio)-, monohydriodide;Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, monohydriodide (8CI)

Chemical Property of 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide

Chemical Property:

• Vapor Pressure: 0.219mmHg at 25°C
• Melting Point: 138-139°
• Boiling Point: 208°Cat760mmHg
• Flash Point: 79.6°C
• PSA: 49.69000
• Density: g/cm³
• LogP: 1.46130
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 257.96877
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

98%min ^*data from raw suppliers

2-(methylthio)-1,4,5,6-tetrahydropyrimidinehydroiodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NCCCN1.I

Technology Process of 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide

There total 3 articles about 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine 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%

3,4,5,6-tetrahydropyrimidine-2-thione (2055-46-1) + methyl iodide (74-88-4) → 2-methylthio-1,4,5,6-tetrahydropyrimidine hydroiodide (5445-73-8)

Guidance literature:

In methanol; for 5h; Heating;

DOI:10.1021/jm0704752

Reference yield:

2-mercapto-3,4,5,6-tetrahydropyrimidine (2055-46-1) + methyl iodide (74-88-4) → 2-methylthio-1,4,5,6-tetrahydropyrimidine hydroiodide (5445-73-8)

Guidance literature:

In methanol; at 80 ℃; for 2h;

DOI:10.1021/jm00099a023

Reference yield:

→ 2-methylthio-1,4,5,6-tetrahydropyrimidine hydroiodide (5445-73-8)

Guidance literature:

/BRN= 605831/ u. MeI;

upstream raw materials:

3,4,5,6-tetrahydropyrimidine-2-thione

methyl iodide

2-mercapto-3,4,5,6-tetrahydropyrimidine

Downstream raw materials:

2-Hydrazino-1,4,5,6-tetrahydropyrimidine monohydroiodide

3,4,5,6-tetrahydropyrimidin-2(1H)-one

(2-Fluoro-phenyl)-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)-methanone

3-({1-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-propyl]-1H-indazole-5-carbonyl}-amino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid tert-butyl ester

Refernces

• 1、 Aoyagi, Naoto,Endo, Takeshi. "Synthesis of five- and six-membered cyclic guanidines by guanylation with isothiouronium iodides and amines under mild conditions". supporting information. p. 442 - 448. Retrieved 2017/02/24.
• 2、 Calas, Michèle,Ouattara, Mahama,Piquet, Gilles,Ziora, Zyta,Bordat,Ancelin, Marie L.,Escale, Roger,Vial, Henri. "Potent antimalarial activity of 2-aminopyridinium salts, amidines, and guanidines". . p. 6307 - 6315. Retrieved 2008/09/16.