| Melting point |
121-123 °C(lit.) |
| alpha |
-29 º (c=1,DMF 24 ºC) |
| Boiling point |
614.6±55.0 °C(Predicted) |
| Density |
1.2053 (rough estimate) |
| refractive index |
-29.5 ° (C=1, DMF) |
| storage temp. |
2-8°C |
| solubility |
very faint turbidity in Methanol |
| pka |
3.72±0.10(Predicted) |
| form |
Granular Powder |
| color |
White |
| optical activity |
[α]20/D -29.5±1.5°, c = 1% in DMF |
| BRN |
4300266 |
| InChI |
InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1 |
| InChIKey |
BUBGAUHBELNDEW-SFHVURJKSA-N |
| SMILES |
C(O)(=O)[C@H](CCSC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O |
| CAS DataBase Reference |
71989-28-1(CAS DataBase Reference) |
