Methyl hydrazinecarbimidothioate hydroiodide

Base Information

• Chemical Name: Methyl hydrazinecarbimidothioate hydroiodide
• CAS No.: 35600-34-1
• Molecular Formula: C2H8IN3S
• Molecular Weight: 233.076
• Hs Code.: 2930909899
• European Community (EC) Number: 831-444-0
• NSC Number: 94774
• DSSTox Substance ID: DTXSID30956980
• Mol file: 35600-34-1.mol

Synonyms:35600-34-1;Methyl hydrazinecarbimidothioate hydroiodide;S-Methylisothiosemicarbazide hydroiodide;methyl N'-aminocarbamimidothioate;hydroiodide;S-Methyl isothiosemicarbazide hydroiodide;SCHEMBL2147185;DTXSID30956980;NSC94774;NSC-94774;AKOS015950337;CS-0105940;EN300-203193;{[amino(methylsulfanyl)methylidene]amino}amine hydroiodide;Methyl hydrazinecarboximidothioate--hydrogen iodide (1/1);Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1)

Chemical Property of Methyl hydrazinecarbimidothioate hydroiodide

Chemical Property:

• Vapor Pressure: 0.0424mmHg at 25°C
• Melting Point: 137-139 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.607
• Boiling Point: 238.4 °C at 760 mmHg
• Flash Point: 98 °C
• PSA: 87.20000
• Density: 1.38 g/cm³
• LogP: 1.93660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Very Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 232.94837
• Heavy Atom Count: 7
• Complexity: 59.8

Purity/Quality:

98%, ^*data from raw suppliers

HydrazinecarboximidothioicAcidMethylEsterHydroiodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=NN)N.I
• Isomeric SMILES: CS/C(=N/N)/N.I

Technology Process of Methyl hydrazinecarbimidothioate hydroiodide

There total 5 articles about Methyl hydrazinecarbimidothioate 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: 98.0%

thiosemicarbazide (79-19-6) + methyl iodide (74-88-4) → S-methyl isothiosemicarbazide hydroiodide (35600-34-1)

Guidance literature:

In ethanol; at 60 ℃; for 0.5h;

Reference yield: 98.0%

thiosemicarbazide (79-19-6) + methyl iodide (74-88-4) → S-methylisothiosemicarbazide hydroiodide (35600-34-1)

Guidance literature:

In ethanol; for 18h; Reflux;

DOI:10.1002/ejoc.201600267

Reference yield: 80.0%

thiosemicarbazide (79-19-6) + methyl iodide (74-88-4) → S-methylisothiosemicarbazide hydriodide (35600-34-1)

Guidance literature:

In ethanol; for 2h; Heating;

DOI:10.1002/hlca.200790067

upstream raw materials:

thiosemicarbazide

methyl iodide

Downstream raw materials:

6-phenyl-3-methylmercapto-as-triazin-5-one

1-amino-3-phenethylguanidine

1-amino-3-(4-methoxybenzyl)guanidine

3-methylsulphanyl-5,6-di-pyridin-2-yl-[1,2,4]triazine

Refernces

• 1、 Wu, Wenyan,Sil, Diptesh,Szostak, Michal L.,Malladi, Subbalakshmi S.,Warshakoon, Hemamali J.,Kimbrell, Matthew R.,Cromer, Jens R.,David, Sunil A.. "Structure-activity relationships of lipopolysaccharide sequestration in guanylhydrazone-bearing lipopolyamines". . p. 709 - 715. Retrieved 2009.
• 2、 -. "TRIAZOLE-PYRIDINYL SUBSTITUTED AZACYCLOHEXYL ACETIC ACID COMPOUNDS AS LPA RECEPTOR ANTAGONISTS". Paragraph 0465. . Retrieved 2022/02/28.
• 3、 ?zkul, Ceren,ülküseven, Bahri,?ahin, Onur,Gündüz, Miyase G?zde,Kaya, Bü?ra,Rekha, Estharla Madhu,Sriram, Dharmarajan. "S-alkylated thiosemicarbazone derivatives: Synthesis, crystal structure determination, antimicrobial activity evaluation and molecular docking studies". . . Retrieved 2021/07/01.