312917-14-9

Name N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thienyl-2-yl)-1-naphthalenecarboxamide
CAS 312917-14-9
Molecular Formula C20H16N2OS
MDL Number MFCD01005305
Molecular Weight 332.419
MOL File 312917-14-9.mol

Chemical Properties

Melting point  88-90oC
Boiling point  486.8±45.0 °C(Predicted)
density  1.32±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.  Store at RT
solubility  Soluble in DMSO (up to 13 mg/ml with warming) or in Ethanol (up to 4 mg/ml with warming)
form  Tan solid
pka 11.95±0.20(Predicted)
color  Off-white
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
InChI 1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
InChIKey WQGDQGAFSDMBLA-UHFFFAOYSA-N
SMILES [s]1c2c(c(c1NC(=O)c3c4c(ccc3)cccc4)C#N)CCCC2

Safety Data

WGK Germany  WGK 3
HS Code  2934999090
Storage Class 11 - Combustible Solids

Hazard Information

Supplier