3-carboxyphenoxathiin

CAS:
Other names: 3a
SMILES: OC(=O)c1ccc2Sc3ccccc3Oc2c1

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_C874 None Jan. 1, 2023

Bar codes

Plate barcode Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[3-carboxyphenoxathiin] 3.18 2.11 Fluorescence spectroscopy Mihaela Hillebrand 2002
[b-Cyclodextrin](1).[3-carboxyphenoxathiin] 3.87 9.18 Fluorescence spectroscopy Mihaela Hillebrand 2002
[b-Cyclodextrin](1).[3-carboxyphenoxathiin] 3.75 9.8 25.0 NMR spectroscopy Andre Thevand 2003
Comment