alpha |
D20 +51.52° (c = 1.61 in methanol) |
Boiling point: |
423.7±45.0 °C(Predicted) |
Density |
1.317±0.06 g/cm3(Predicted) |
storage temp. |
2-8°C |
solubility |
DMSO: 50mg/ml in DMSO |
form |
Oil |
pka |
4.56±0.20(Predicted) |
color |
Colorless to light yellow |
InChI |
InChI=1/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/s3 |
InChIKey |
GKTWGGQPFAXNFI-UJHUVDBMNA-N |
SMILES |
[C@@H](C1C=CC=CC=1Cl)(N1CCC2SC=CC=2C1)C(=O)OC |&1:0,r| |
CAS DataBase Reference |
113665-84-2(CAS DataBase Reference) |