| Melting point |
136-140°C |
| alpha |
D25 -133.60° (c = 0.23 in MeOH) |
| Boiling point |
443.3±55.0 °C(Predicted) |
| Density |
1.82±0.1 g/cm3(Predicted) |
| storage temp. |
Keep in dark place,Inert atmosphere,2-8°C |
| solubility |
Chloroform (Slightly) |
| form |
Solid |
| pka |
13.83±0.10(Predicted) |
| color |
White to Pale Yellow |
| optical activity |
[α]/D -150 to -125°, c =0.25 in methanol |
| λmax |
280nm(H2O)(lit.) |
| Merck |
14,3565 |
| Henry's Law Constant |
9.0×1011 mol/(m3Pa) at 25℃, HSDB (2015) |
| BCS Class |
1 |
| InChI |
1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1 |
| InChIKey |
XQSPYNMVSIKCOC-NTSWFWBYSA-N |
| SMILES |
FC1=CN(C(=O)N=C1N)[C@H]2O[C@H](SC2)CO |
| CAS DataBase Reference |
143491-57-0(CAS DataBase Reference) |
