176797-26-5

Name S 17092
CAS 176797-26-5
Molecular Formula C22H28N2O2S
MDL Number MFCD00948255
Molecular Weight 384.53
MOL File 176797-26-5.mol

Chemical Properties

Boiling point  622.6±55.0 °C(Predicted)
density  1.268±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: ≥10mg/mL
form  powder
pka -1.12±0.20(Predicted)
color  white to tan
Optical Rotation [α]/D -140 to -170° in dichloromethane
InChI 1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1
InChIKey NXSXRIHXEQSYEZ-KNJMJIDISA-N
SMILES O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]3C[C@H]3c4ccccc4)N5CCSC5

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Supplier