| Melting point |
102 - 104°C |
| Boiling point |
617.9±61.0 °C(Predicted) |
| Density |
1.49±0.1 g/cm3(Predicted) |
| storage temp. |
Hygroscopic, -20°C Freezer, Under inert atmosphere |
| solubility |
DMSO (Slightly) |
| pka |
0.89±0.10(Predicted) |
| form |
Solid |
| color |
Orange |
| Stability |
Unstable in Aqueous Solution |
| InChI |
InChI=1S/C18H18N4O4S3/c1-18(2,3)26-13(23)8-25-22-14(11-9-27-16(19)20-11)15(24)29-17-21-10-6-4-5-7-12(10)28-17/h4-7,9H,8H2,1-3H3,(H2,19,20)/b22-14- |
| InChIKey |
KVKDHRUVQQPKCW-HMAPJEAMSA-N |
| SMILES |
C(OC(C)(C)C)(=O)CO/N=C(/C1=CSC(N)=N1)\C(SC1=NC2=CC=CC=C2S1)=O |
| CAS DataBase Reference |
89605-09-4(CAS DataBase Reference) |
