S-ETHYLISOTHIOUREA HYDROBROMIDE

Base Information

• Chemical Name: S-ETHYLISOTHIOUREA HYDROBROMIDE
• CAS No.: 1071-37-0
• Molecular Formula: C3H9BrN2S
• Molecular Weight: 185.088
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90147913
• Mol file: 1071-37-0.mol

Synonyms:Carbamimidothioicacid, ethyl ester, monohydrobromide (9CI);Pseudourea, 2-ethyl-2-thio-,hydrobromide (6CI,7CI);Pseudourea, 2-ethyl-2-thio-, monohydrobromide (8CI);2-Ethyl-2-thiopseudourea hydrobromide;2-Ethylisothiourea hydrobromide;Ethiron;Ethiron bromide;Ethyl imidothiocarbamate hydrobromide;Ethylisothiourea hydrobromide;Etiron;Isothuron hydrobromide;Isothuronehydrobromide;S-Ethylisothiourea hydrobromide;S-Ethylisothiouroniumhydrobromide;S-Ethylisothiuronium bromide;S-Ethylthiuronium bromide;WR 539;Carbamimidothioic acid,ethyl ester, hydrobromide (1:1);

Chemical Property of S-ETHYLISOTHIOUREA HYDROBROMIDE

Chemical Property:

• Appearance/Colour: White Crystalline Solid
• Vapor Pressure: 2.26mmHg at 25°C
• Melting Point: 79-81 °C
• Refractive Index: 1.548
• Boiling Point: 159.6 °C at 760 mmHg
• Flash Point: 50.3 °C
• PSA: 75.17000
• Density: 1.09g/cm³
• LogP: 2.39110
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.96698
• Heavy Atom Count: 7
• Complexity: 47.2

Purity/Quality:

98%, ^*data from raw suppliers

EIT hydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCSC(=[NH2+])N.[Br-]
• Uses: S-Ethylisothio Urea, Hydrobromide (cas# 1071-37-0) is a compound useful in organic synthesis. Dyes and metabolites.

Technology Process of S-ETHYLISOTHIOUREA HYDROBROMIDE

There total 2 articles about S-ETHYLISOTHIOUREA HYDROBROMIDE 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%

ethyl bromide (74-96-4) + thiourea (17356-08-0) → 2-ethylisothiourea hydrobromide (1071-37-0,133514-72-4)

Guidance literature:

In ethanol; at 50 ℃;

Reference yield:

→ 2-ethylisothiourea hydrobromide (1071-37-0,133514-72-4)

Guidance literature:

zur Bildung;

Reference yield: 93.0%

2-fluoro-5-(trifluoromethyl)benzoyl chloride (207981-46-2) + 2-ethylisothiourea hydrobromide (1071-37-0,133514-72-4) → N-(2-fluoro-5-trifluoromethylbenzoyl)-S-ethylthiourea

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h; Cooling with ice;

upstream raw materials:

ethyl bromide

thiourea

Downstream raw materials:

N-(2-hydroxy-ethyl)-N-methyl-guanidine

dodecylguanidine

1-amino-5-guanidinopentane

1,5-Diguanidino-pentan

Refernces

• 1、 -. "Having a spiro ring substituent of aryl morpholine compound, its preparation and use". Paragraph 0167-0169. . Retrieved 2017/08/02.
• 2、 -. "ANTIVIRAL PYRIMIDINES". Page/Page column 78. . Retrieved 2010/11/03.