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163597-57-7

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163597-57-7 Structure

163597-57-7 Structure
IdentificationBack Directory
[Name]

3-Cyano-4-(2-methylpropoxy)benzenecarbothioamide
[CAS]

163597-57-7
[Synonyms]

Febuxostat Impurity E
3-Cyano-4-isobutoxybenzothioaMide
3-Cyano-4-isobutyloxythiobenzamide
3-Cyano-4-isobutyloxyhthiobenzamide
3-Cyano-4-(2-methylpropoxy)benzenecarbothioamide
BenzenecarbothioaMide,3-cyano-4-(2-Methylpropoxy)-
163597-57-7 3-Cyano-4-(2-methylpropoxy)benzenecarbothioamide C12H14N2OS
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C12H14N2OS
[MDL Number]

MFCD13185967
[MOL File]

163597-57-7.mol
[Molecular Weight]

234.32
Chemical PropertiesBack Directory
[Boiling point ]

396.2±52.0 °C(Predicted)
[density ]

1.18
[storage temp. ]

2-8°C
[pka]

12.49±0.29(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P501-P270-P264-P301+P310+P330-P405
Hazard InformationBack Directory
[Uses]

3-?Cyano-?4-?isobutyloxythiobenza?mide is an impurity in the preparation of Febuxostat (F229000), a xanthine oxidase/xanthine dehydrogenase inhibitor. Used for treatment of hyperuricemia and chronic gout.
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