52378-40-2

Name N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea
CAS 52378-40-2
EINECS(EC#) 257-889-5
Molecular Formula C10H15N5S2
MDL Number MFCD09751289
Molecular Weight 269.39
MOL File 52378-40-2.mol

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 Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Warning
Hazard statements  H334-H302+H312+H332-H317
Precautionary statements  P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
WGK Germany  WGK 3
REACH Registrations Active
Storage Class 11 - Combustible Solids

Hazard Information

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