2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide

Base Information

• Chemical Name: 2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
• CAS No.: 5464-11-9
• Molecular Formula: C4H8N2S
• Molecular Weight: 244.099
• Hs Code.: 2933290090
• European Community (EC) Number: 226-756-3
• DSSTox Substance ID: DTXSID10969912
• NSC Number: 26869
• Mol file: 5464-11-9.mol

Synonyms:5464-11-9;2-Methylthio-2-imidazoline hydriodide;2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide;2-Methylthio-2-imidazoline hydroiodide;2-Methylthio-2-imidazoline, Hydroiodide;2-METHYLTHIO-2-IMIDAZOLINEHYDRIODIDE;2-Methylsulfanyl-4,5-dihydro-1H-imidazole hydrogen iodide;MFCD00005181;2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide;2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide;hydron;iodide;2-(Methylthio)imidazolinium iodide;2-(Methylthio)-4,5-dihydroimidazole Hydroiodide;2-Methylmercapto-4,5-dihydroimidazole Hydroiodide;2-Imidazoline, monohydriodide;SCHEMBL315802;DTXSID10969912;PZZRSEUDGCFXIH-UHFFFAOYSA-N;2-methylthioimidazoline, hydroiodide;NSC26869;GEO-01949;NSC-26869;2-methylmercaptoimidazoline hydroiodide;AKOS005067919;CS-W010263;MS-3695;2-(Methylthio)-2-imidazoline hydriodide;2-(methylthio)-2-imidazoline hydroiodide;SY063540;2-methylmercapto-2-imidazoline-hydroiodide;2-Methylthio-2-imidazoline hydriodide, 99%;2-methylthio-4,5-dihydroimidazole hydriodide;FT-0672239;4,5-Dihydro-2-methylthioimidazole hydroiodide;EN300-65631;D94694;2-methylsulfanyl-4,5-dihydro-1H-imidazole hydroiodide;2-methylsulphanyl-4,5-dihydro-1h-imidazole hydriodide;1H-Imidazole,5-dihydro-2-(methylthio)-, monohydriodide;F2147-0310;2-(Methylsulfanyl)-4,5-dihydro-1H-imidazole--hydrogen iodide (1/1)

Chemical Property of 2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide

Chemical Property:

• Vapor Pressure: 0.652mmHg at 25°C
• Melting Point: 144-146oC(lit.)
• Boiling Point: 186.8°Cat760mmHg
• Flash Point: 66.7°C
• PSA: 49.69000
• Density: 1.27g/cm³
• LogP: 1.07120
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.95312
• Heavy Atom Count: 8
• Complexity: 89.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylthio-2-imidazoline,Hydroiodide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSC1=NCCN1.I
• Uses: 2-Methylthio-2-imidazoline hydriodide was used in the preparation of starting materials required for the synthesis of 2-amino1-(2-Imidazolin-2-yl)-2-imidazoline.

Technology Process of 2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide

There total 4 articles about 2-(methylthio)-4,5-dihydro-1H-imidazole 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'-ethylenethiourea (96-45-7) + methyl iodide (74-88-4) → 2-methylthio-2-imidazoline hydroiodide (5464-11-9)

Guidance literature:

In ethanol; at 20 ℃; for 6.08333h;

DOI:10.1080/00397911.2016.1269927

Reference yield:

methyl iodide (74-88-4) → 2-methylthio-2-imidazoline hydroiodide (5464-11-9)

Guidance literature:

With methanol; at 100 ℃; im Rohr;

Reference yield:

ethylenethiourea (1483-58-5) + methyl iodide (74-88-4) → 2-methylthio-2-imidazoline hydroiodide (5464-11-9)

Guidance literature:

In methanol; Heating;

DOI:10.1016/S0968-0896(01)00420-5

upstream raw materials:

N,N'-ethylenethiourea

methyl iodide

ethylenethiourea

Downstream raw materials:

N-(4,5-dihydro-1H-imidazol-2-yl)-cyclohexylamine

N-(4-methylphenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine

(4,5-dihydro-1H-imidazol-2-yl)-methyl-phenyl-amine

6-(2-imidazolin-2-ylamino)-2H-1,4-benzoxazin-3(4H)-one hydroiodide

Refernces

• 1、 Honnanayakanavar, Jyoti M.,Nanubolu, Jagadeesh Babu,Suresh, Surisetti. "Tandem copper catalyzed regioselectiveN-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201". supporting information. p. 8497 - 8501. Retrieved 2021/10/20.
• 2、 Kakeshpour, Tayeb,Bailey, John P.,Jenner, Madison R.,Howell, Darya E.,Staples, Richard J.,Holmes, Daniel,Wu, Judy I.,Jackson, James E.. "High-Field NMR Spectroscopy Reveals Aromaticity-Modulated Hydrogen Bonding in Heterocycles". supporting information. p. 9842 - 9846. Retrieved 2017/08/08.