| Formula |
C16H16N2O3S |
| IUPAC Name |
2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid |
| Molecular Mass |
316.375 g·mol−1 |
| Heat of Formation |
-279.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.76 ± 1.08 D |
| Volume |
370.85 Å 3 |
| Surface Area |
339.81 Å 2 |
| HOMO Energy |
-9.21 ± 0.55 eV |
| LUMO Energy |
-1.61 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid
- 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid
- 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid
- 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
- 5-thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-
- d01206
- febuxostat (jan/usan)
- tei
- tei-6720
- tmx-67
|
| CAS Number(s) |
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| InChIKey |
BQSJTQLCZDPROO-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
Wikipedia
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
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|
| Elements |
H
S
C
O
N
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