94164-88-2

Name PKM2 inhibitor
CAS 94164-88-2
Molecular Formula C18H19NO2S2
MDL Number MFCD31619244
Molecular Weight 345.48
MOL File 94164-88-2.mol
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Chemical Properties

Boiling point  496.5±55.0 °C(Predicted)
density  1.302±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  DMF: 1 mg/ml; DMSO: insol; Ethanol: insol; PBS (pH 7.2): insol
form  A solid
pka 0.81±0.20(Predicted)
color  Light yellow to yellow
InChI 1S/C18H19NO2S2/c1-12-15(11-23-18(22)19-9-5-2-6-10-19)17(21)14-8-4-3-7-13(14)16(12)20/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKey STAFOGVMELKGRI-UHFFFAOYSA-N
SMILES S(CC2=C(C(=O)c3c(cccc3)C2=O)C)C(=S)N1CCCCC1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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