| Melting point |
230-231°C |
| Boiling point |
756.9±70.0 °C(Predicted) |
| Density |
2.18 |
| refractive index |
1.6460 (estimate) |
| storage temp. |
Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| solubility |
DMF: 2 mg/ml
DMSO: 5 mg/ml |
| form |
Solid |
| pka |
13.21±0.70(Predicted) |
| color |
Off-white to light yellow |
| InChI |
InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1 |
| InChIKey |
OTDJAMXESTUWLO-UUOKFMHZSA-N |
| SMILES |
OC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=S)N=C2)[C@H](O)[C@@H]1O |
| CAS DataBase Reference |
85-31-4(CAS DataBase Reference) |
