348086-71-5

Name BAY-57-1293
CAS 348086-71-5
Molecular Formula C18H18N4O3S2
MDL Number MFCD18633192
Molecular Weight 402.49
MOL File 348086-71-5.mol

Chemical Properties

Boiling point  639.4±65.0 °C(Predicted)
density  1.396±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,2-8°C
solubility  insoluble in H2O; insoluble in EtOH; ≥13.9 mg/mL in DMSO
form  solid
pka 9.31±0.60(Predicted)
color  White to off-white
InChI InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
InChIKey IVZKZONQVYTCKC-UHFFFAOYSA-N
SMILES C1(CC(N(C2=NC(C)=C(S(N)(=O)=O)S2)C)=O)=CC=C(C2=NC=CC=C2)C=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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