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172152-36-2

Name 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-3H-benzoimidazole
CAS 172152-36-2
EINECS(EC#) 1308068-626-2
Molecular Formula C19H18N4O2S
MDL Number MFCD00942538
Molecular Weight 366.44
MOL File 172152-36-2.mol
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Chemical Properties

Boiling point  651.0±65.0 °C(Predicted)
density  1.39
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  DMF: 10mg/mL; DMSO: 15mg/mL; DMSO:PBS (pH 7.2) (1:7): 0.12mg/mL; Ethanol: 0.3mg/mL
form  A solid
pka 8.23±0.10(Predicted)
color  Off-white to gray
InChI InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)
InChIKey HRRXCXABAPSOCP-UHFFFAOYSA-N
SMILES C1(S(CC2=NC=CC(OC)=C2C)=O)NC2=CC(N3C=CC=C3)=CC=C2N=1

Safety Data

Symbol(GHS) 
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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