English name: GW-501516

CAS number: 317318-70-0

Molecular formula: C21H18F3NO3S2

Molecular weight: 453.5

EINECS number: 1592732-453-0

MDL No. : MFCD09033000

Stats

Melting point 134-136°C

Boiling point 584.5±60.0 °C(Predicted)

Density 1.42± 0.1g /cm3(Predicted)

Storage condition -20°C

Solubility DMSO: soluble20mg/mL, clear

Morphology powder

Acidity coefficient (pKa)3.17±0.10(Predicted)

The color is white to beige

BRN18515150

Light Sensitive to stability

InChIInChI = 1 s/C21H18F3NO3S2 / c1-12-9-16 (27), 7-8-17 (12), 7-8-17 (26) the 29-11-18-13 (2) 25-20 (30-18) the 14-3-5-15 (6-4-14) 21 (22, 23) / 24 h 3-9 H, 10-11 h2, 1-2 h3, (H, 26, 27)

InChIKeyYDBLKRPLXZNVNB-UHFFFAOYSA-N

SMILESC(O)(=O)COC1=CC=C(SCC2SC(C3=CC=C(C(F)(F)F)C=C3)=NC=2C)C=C1C

Safety information

GHS hazard pictograms GHS Hazard pictograms

GHS07

Warning word

Hazard Description H315-H319-H335

Precautions P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501

WGK Germany3

RTECS number AI9105500