314761-14-3

Name BTSA 1
CAS 314761-14-3
Molecular Formula C21H14N6OS2
Molecular Weight 430.51
MOL File 314761-14-3.mol
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Chemical Properties

Boiling point  625.2±48.0 °C(Predicted)
density  1.49±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO:53.0(Max Conc. mg/mL);123.11(Max Conc. mM)
form  Solid
pka 6.52±0.40(Predicted)
color  Brown to reddish brown
InChI InChI=1S/C21H14N6OS2/c28-19-18(24-25-20-22-11-12-29-20)17(15-9-5-2-6-10-15)26-27(19)21-23-16(13-30-21)14-7-3-1-4-8-14/h1-13H,(H,22,25)
InChIKey KYVZVVOQWWCVPP-UHFFFAOYSA-N
SMILES N1(C2=NC(C3=CC=CC=C3)=CS2)C(=O)C(=NNC2=NC=CS2)C(C2=CC=CC=C2)=N1

Safety Data

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

Hazard Information