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N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea Structure

N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea

Chemical Properties

Melting point 148-150℃
Boiling point 501.5±60.0 °C(Predicted)
Density  1.29±0.1 g/cm3(Predicted)
storage temp.  Amber Vial, -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 14.11±0.10(Predicted)
color  Yellow
Stability Light Sensitive
Major Application pharmaceutical
InChI 1S/C10H15N5S2/c1-8-9(15-7-14-8)5-17-4-3-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey WSUNDBVVUCLXTG-UHFFFAOYSA-N
SMILES S(CCN=C(SC)NC#N)Cc1[nH]cnc1C

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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