5-THIOCYANATO-THIAZOL-2-YLAMINE Chemical Properties

Melting point:

145 °C (decomp)

Boiling point:

369.6±15.0 °C(Predicted)

Density 

1.56±0.1 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

2.52±0.10(Predicted)

Appearance

Yellow to brown Solid

InChI

InChI=1S/C4H3N3S2/c5-2-8-3-1-7-4(6)9-3/h1H,(H2,6,7)

InChIKey

HUMARXMRTXDPPK-UHFFFAOYSA-N

SMILES

S(C1SC(N)=NC=1)C#N

5-THIOCYANATO-THIAZOL-2-YLAMINE Usage And Synthesis

Synthesis

General procedure for the synthesis of 2-aminothiazol-5-yl thiocyanate from potassium thiocyanate and 2-amino-5-bromothiazole hydrobromide: A mixture of 2-amino-5-bromothiazole hydrobromide (7.8 g, 30 mmol) and potassium thiocyanate (20.46 g, 210.93 mmol) in methanol (230 mL) was stirred for 48 hours at room temperature. After completion of the reaction, methanol was removed by distillation under reduced pressure and water (30 mL) was added to the residue. The pH of the aqueous solution was adjusted to 12 with 10% aqueous sodium hydroxide, at which time a precipitate was produced. The solid was collected by filtration to afford the target compound 2-aminothiazol-5-yl thiocyanate (3.3 g, 70% yield) as a brown solid.LC-MS (m/z): 158 [M + H]+.

References

[1] Patent: WO2017/44858, 2017, A2. Location in patent: Paragraph 00325; 00505; 00468
[2] Patent: US2008/21052, 2008, A1. Location in patent: Page/Page column 25
[3] Patent: US2008/9465, 2008, A1. Location in patent: Page/Page column 48-49
[4] Patent: WO2010/75542, 2010, A1. Location in patent: Page/Page column 52
[5] Patent: WO2009/36016, 2009, A1. Location in patent: Page/Page column 54

5-THIOCYANATO-THIAZOL-2-YLAMINE(23056-10-2)Related Product Information

• Benzyl thiocyanate
• TOSLAB 13035
• 2-[(2E)-2-(4-NITROBENZYLIDENE)HYDRAZINO]-4-PHENYL-1,3-THIAZOL-5-YL THIOCYANATE
• 2-AMINO-4-(TERT-BUTYL)-1,3-THIAZOL-5-YL THIOCYANATE
• TOSLAB 13017
• 5-THIOCYANATO-THIAZOL-2-YLAMINE
• TOSLAB 13249