1314883-11-8

Name MMV-390048
CAS 1314883-11-8
Molecular Formula C18H14F3N3O2S
MDL Number MFCD28502126
Molecular Weight 393.38
MOL File 1314883-11-8.mol
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Chemical Properties

Boiling point  534.4±50.0 °C(Predicted)
density  1.385±0.06 g/cm3(Predicted)
storage temp.  4°C, protect from light
solubility  DMSO : 100 mg/mL (254.21 mM; Need ultrasonic)
form  Solid
pka 3.79±0.50(Predicted)
color  White to off-white
InChI InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
InChIKey RTJQABCNNLMCJF-UHFFFAOYSA-N
SMILES C1(N)=NC=C(C2=CC=C(S(C)(=O)=O)C=C2)C=C1C1=CC=C(C(F)(F)F)N=C1

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