| Melting point |
145-147° |
| Density |
1.426±0.06 g/cm3(Predicted) |
| storage temp. |
0-6°C |
| solubility |
Solubility in organic solvents (g/l at 20 °C)
Acetone 36.0
Ethyl acetate 14.1
Dichloromethane 107.0
n‐Hexane 0.006
Methanol 7.7
Polyethylene glycol 22.5
Toluene 2.5 |
| pka |
Dissociation constant (pKa at 20 °C) 5.28 |
| form |
Solid |
| color |
White to Off-White |
| Water Solubility |
Solubility in water (g/l at 20 °C): 0.026 (pH 5) 1.353 (pH 7) 9.628 (pH 9) |
| InChI |
InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20) |
| InChIKey |
UWVKRNOCDUPIDM-UHFFFAOYSA-N |
| SMILES |
S(NC(NC1=NC(OC)=CC(OC)=N1)=O)(OC1=CC=CC=C1OCC)(=O)=O |
| CAS DataBase Reference |
126801-58-9(CAS DataBase Reference) |
