LN-564326
S-((1R,2R,4R)-2-hydroxy-4-(2,2,2-trifluoroacetamido)cyclohexyl)benzothioate , 0.98 , 1350636-92-8
Update time: 2023-04-23
PRODUCT Properties
| Boiling point: | 473.6±45.0 °C(Predicted) |
| Density | 1.39±0.1 g/cm3(Predicted) |
| pka | 10.39±0.60(Predicted) |
| InChI | InChI=1S/C15H16F3NO3S/c16-15(17,18)14(22)19-10-6-7-12(11(20)8-10)23-13(21)9-4-2-1-3-5-9/h1-5,10-12,20H,6-8H2,(H,19,22)/t10-,11-,12-/m1/s1 |
| InChIKey | QBWQBQSXEUQQND-IJLUTSLNSA-N |
| SMILES | C1(C(S[C@@H]2CC[C@@H](NC(C(F)(F)F)=O)C[C@H]2O)=O)=CC=CC=C1 |
Safety
| Symbol(GHS) |  GHS08 |
| Signal word | Warning |
| Hazard statements | H371 |
| Precautionary statements | P260-P264-P270-P309+P311-P405-P501 |