131987-69-4

Name 3-(hexyloxy)-4-(pyridin-3-yl)-1,2,5-thiadiazole
CAS 131987-69-4
Molecular Formula C13H17N3OS
MDL Number MFCD18074178
Molecular Weight 263.36
MOL File 131987-69-4.mol

Chemical Properties

Melting point  48-50 °C(Solv: hexane (110-54-3))
Boiling point  366.6±27.0 °C(Predicted)
density  1.143±0.06 g/cm3(Predicted)
pka 1.68±0.12(Predicted)
InChI InChI=1S/C13H17N3OS/c1-2-3-4-5-9-17-13-12(15-18-16-13)11-7-6-8-14-10-11/h6-8,10H,2-5,9H2,1H3
InChIKey VJUYUCDQCJLBOZ-UHFFFAOYSA-N
SMILES C1=NC=CC=C1C1C(OCCCCCC)=NSN=1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280-P305+P351+P338

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