2-carboxyphenoxathiin
- CAS:
- Other names:
- SMILES: OC(=O)c1ccc2Oc3ccccc3Sc2c1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 244.27 | 4 | 1 | 3.64 | 71.83 | 1 | 77 | 0.00 | C13H8O3S |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C927 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[2-carboxyphenoxathiin] | 4.40 | 9.8 | 25.0 | NMR spectroscopy | Andre Thevand 2003 | |