854107-53-2

Name 3-(2-Methylphenyl)-2-((Z)-propylimino)thiazolidin-4-one
CAS 854107-53-2
Molecular Formula C13H16N2OS
Molecular Weight 248.34
MOL File 854107-53-2.mol
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Chemical Properties

Melting point  59 °C(Solv: ethyl ether (60-29-7); heptane (142-82-5))
Boiling point  362.2±35.0 °C(Predicted)
density  1.18±0.1 g/cm3(Predicted)
pka 0.96±0.20(Predicted)
InChI InChI=1S/C13H16N2OS/c1-3-8-14-13-15(12(16)9-17-13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3/b14-13-
InChIKey OYBHACSOBWDLDC-YPKPFQOOSA-N
SMILES S1CC(=O)N(C2=CC=CC=C2C)/C/1=N/CCC

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338

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