| Formula |
C18H10F3NO3S2 |
| IUPAC Name |
4-[(e)-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]thiazolidin-5-ylidene]methyl]benzoic acid |
| Molecular Mass |
409.402 g·mol−1 |
| Heat of Formation |
-793.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.24 ± 1.08 D |
| Volume |
419.44 Å 3 |
| Surface Area |
367.44 Å 2 |
| HOMO Energy |
-9.17 ± 0.55 eV |
| LUMO Energy |
-1.93 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[(e)-[4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]thiazolidin-5-ylidene]methyl]benzoic acid
- 4-[(e)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
- 4-[(e)-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]benzoic acid
- 4-[(e)-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]thiazolidin-5-ylidene]methyl]benzoic acid
- 5-[(4-carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl-4-thiazolidinone
- cftr(inh)-172
|
| InChIKey |
JIMHYXZZCWVCMI-RIYZIHGNSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
C
F
H
O
N
S
|
| |
|
