ChemicalBook--->CAS DataBase List--->97978-07-9

97978-07-9

97978-07-9 Structure

97978-07-9 Structure
IdentificationBack Directory
[Name]

Benzo[b]thien-2-yl Ketone
[CAS]

97978-07-9
[Synonyms]

Zileuton USP RC B
Benzo[b]thien-2-yl Ketone
Zileuton USP Related Compound B
bis(benzothiophen-2-yl)methanone
bis(1-benzothiophen-2-yl)methanone
2-(Benzo[b]thien-2-oyl)benzo[b]thio
Zileuton Impurity 2(Zileuton USP RC B)
Benzo[b]thien-2-yl Ketone (Zileuton Impurity)
Benzo[b]thien-2-yl Ketone \n(Zileuton Impurity)
[Molecular Formula]

C17H10OS2
[MOL File]

97978-07-9.mol
[Molecular Weight]

294.39
Chemical PropertiesBack Directory
[Melting point ]

161-166°C
[Boiling point ]

491.6±20.0 °C(Predicted)
[density ]

1.370±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[color ]

Off-White to Pale Yellow
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C17H10OS2/c18-17(15-9-11-5-1-3-7-13(11)19-15)16-10-12-6-2-4-8-14(12)20-16/h1-10H
[InChIKey]

XGEOFOPAAWHTSM-UHFFFAOYSA-N
[SMILES]

[s]1c2c(cc1C(=O)c3[s]c4c(c3)cccc4)cccc2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Benzo[b]thien-2-yl ketone is an impurity of Zileuton (Z420000), an inhibitor of 5-lipoxygenase that is used to treat patients with asthma. Benzo[b]thien-2-yl ketone is used as a reagent to synthesize Bis(1H-2-indolyl)methanone, compounds that inhibit the activity of growth factor receptor kinase. Benzo[b]thien-2-yl ketone is also used as a reagent to prepare annulated oligothiophenes, compounds that are used in organic light-emitting devides (OLEDs).
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