Identification Chemical Properties Safety Data Hazard Information

40054-73-7

Name 2-ethyl-9-Methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
CAS 40054-73-7
EINECS(EC#) 200-284-8
Molecular Formula C17H16N4S
MDL Number MFCD02942552
Molecular Weight 308.4
MOL File 40054-73-7.mol

Chemical Properties

Melting point  165-166 °C
Boiling point  519.0±60.0 °C(Predicted)
density  1.34±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMF: 5 mg/ml DMSO: 5 mg/ml DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml Methanol: 1 mg/ml
form  A crystalline solid
pka 2.45±0.40(Predicted)
color  White to off-white
λmax 247 nm
InChI InChI=1S/C17H16N4S/c1-3-13-9-14-16(12-7-5-4-6-8-12)18-10-15-20-19-11(2)21(15)17(14)22-13/h4-9H,3,10H2,1-2H3
InChIKey JIOBORXCOGMHSV-UHFFFAOYSA-N
SMILES N12C(C)=NN=C1CN=C(C1=CC=CC=C1)C1C=C(CC)SC=12

Safety Data

RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution

Hazard Information