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3-Cyano-4-Isobutoxybenzothioamide

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3-Cyano-4-Isobutoxybenzothioamide / CAS : 163597-57-7

Appearance white solid UN -
HS 29309090 DG Class -
Synonyms 3-Cyano-4-(2-Methylpropoxy)Benzenecarbothioamide; 3-Cyano-4-Isobutoxy-Thiobenzamide; Febuxostat Impurity 72; Febuxostat Impurity E; 3-Cyano-4-Isobutyloxyhthiobenzamide; Benzenecarbothioamide,3-Cyano-4-(2-Methylpropoxy)-
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Properties

Summary

Formula
C12H14N2OS
Molecular Mass
234.31736
Exact Mass
234.08282
PSA
59.04
Logp
1.593
IUPAC
3-cyano-4-(2-methylpropoxy)benzenecarbothioamide
SMILES
CC(C)COC1=C(C=C(C=C1)C(=S)N)C#N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Density
1.18 g/cm3
Boiling Point
396.194 °C
Flash Point
193.411 °C
Appearance
white solid
Acidity and Basicity
alkalinity

Export information

HS Code
29309090
Export Rebate
13%

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