(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea

CAS:
Other names: zileuton
SMILES: NC(=O)N(O)CCc1sc2ccccc2c1

Properties

MW HBA HBD LogP TPSA Rot. Comp. Fsp3C Brutto formula
236.29 4 2 2.91 94.8 4 83 0.18 C11H12N2O2S

Availability

Suppliers Supplier IDs Storage Storage ID Quantity Class Added
SF_C1460 None Jan. 1, 2023

Bar codes

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PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea] 3.74 2.87 7.0 25.0 NMR spectroscopy M. Cotta Ramusino 1998
[b-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea] 3.77 2.87 7.0 25.0 UV-vis spectroscopy M. Cotta Ramusino 1998
[b-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea] 3.71 2.26 7.0 25.0 Circular dichroism spectroscopy M. Cotta Ramusino 1998
[g-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea] 3.41 2.34 7.0 25.0 NMR spectroscopy M. Cotta Ramusino 1998
[g-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea] 3.23 2.26 7.0 25.0 UV-vis spectroscopy M. Cotta Ramusino 1998
[g-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea] 3.20 2.48 7.0 25.0 Circular dichroism spectroscopy M. Cotta Ramusino 1998
Comment