1-Ethyl-2-methyl-3-cyanoisothiourea

Base Information

• Chemical Name: 1-Ethyl-2-methyl-3-cyanoisothiourea
• CAS No.: 5848-25-9
• Molecular Formula: C5H9N3S
• Molecular Weight: 143.21
• DSSTox Substance ID: DTXSID30406511
• Nikkaji Number: J1.771.114H
• Mol file: 5848-25-9.mol

Synonyms:5848-25-9;1-ethyl-2-methyl-3-cyanoisothiourea;N'-cyano-N-ethyl(methylsulfanyl)methanimidamide;methyl N-cyano-N'-ethylcarbamimidothioate;SCHEMBL3760051;DTXSID30406511;BUFQRIDSXBTSDH-UHFFFAOYSA-N;AKOS003676796;AKOS006379738;AKOS017408311;EN300-106693;N-cyano-N'-ethyl(methylsulfanyl)methanimidamide

Chemical Property of 1-Ethyl-2-methyl-3-cyanoisothiourea

Chemical Property:

• Melting Point: 161-163 °C
• Boiling Point: 214.2±23.0 °C(Predicted)
• PSA: 73.48000
• Density: 1.08±0.1 g/cm3(Predicted)
• LogP: 1.18688
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 143.05171847
• Heavy Atom Count: 9
• Complexity: 144

Purity/Quality:

N''-cyano-N-ethyl(methylsulfanyl)methanimidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN=C(NC#N)SC

Technology Process of 1-Ethyl-2-methyl-3-cyanoisothiourea

There total 7 articles about 1-Ethyl-2-methyl-3-cyanoisothiourea 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: 90.0%

ethylamine (75-04-7,85404-22-4) + dimethyl N-cyanodithioiminocarbonate (10191-60-3) → N-cyano-N'-ethyl-S-methylcarbamimidothioate (5848-25-9)

Guidance literature:

In ethanol; water; for 1h; Ambient temperature;

DOI:10.1016/0223-5234(96)88244-4

Reference yield:

ethylamine (75-04-7,85404-22-4) + dimethyl N-cyanodithioiminocarbonate (10191-60-3) → N-cyano-N'-ethyl-S-methylisothiourea (5848-25-9)

Guidance literature:

In ethanol;

DOI:10.1021/jo00831a097

Reference yield:

N-ethyl-N'-cyano-thiourea (89125-07-5) + methyl iodide (74-88-4) → N-cyano-N'-ethyl-S-methylisothiourea (5848-25-9)

Guidance literature:

With sodium hydroxide; In ethanol;

upstream raw materials:

ethylamine

dimethyl N-cyanodithioiminocarbonate

N-ethyl-N'-cyano-thiourea

methyl iodide

Downstream raw materials:

N-cyano-N′-ethylguanidine

N'-cyano-N-ethylguanidine

1-ethyl-2-methyl-3-(3-phenyl-[1,2,4]oxadiazol-5-yl)-isothiourea