722456-31-7

Name 1,3-benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfide
CAS 722456-31-7
Molecular Formula C18H12N6OS
MDL Number MFCD03407188
Molecular Weight 360.39
MOL File 722456-31-7.mol
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Chemical Properties

Boiling point  627.0±65.0 °C(Predicted)
density  1.53±0.1 g/cm3(Predicted)
storage temp.  room temp
solubility  DMSO: ≥5mg/mL
form  Tan solid
pka 0.85±0.30(Predicted)
color  white to beige
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChI InChI=1S/C18H12N6OS/c1-2-6-12(7-3-1)10-24-16-15(22-23-24)17(20-11-19-16)26-18-21-13-8-4-5-9-14(13)25-18/h1-9,11H,10H2
InChIKey HZSOKHVVANONPV-UHFFFAOYSA-N
SMILES C1=NC(SC2=NC3=CC=CC=C3O2)=C2N=NN(CC3=CC=CC=C3)C2=N1

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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