| Formula |
C15H11F3O2S |
| IUPAC Name |
2-benzylsulfanyl-5-(trifluoromethyl)benzoic acid |
| Molecular Mass |
312.307 g·mol−1 |
| Heat of Formation |
-831.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.12 ± 1.08 D |
| Volume |
339.16 Å 3 |
| Surface Area |
306.4 Å 2 |
| HOMO Energy |
-9.12 ± 0.55 eV |
| LUMO Energy |
-1.70 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-((phenylmethyl)thio)-5-(trifluoromethyl)benzoic acid
- 2-(benzylthio)-5-(trifluoromethyl)benzoic acid
- 2-(phenylmethylthio)-5-(trifluoromethyl)benzoic acid
- 2-benzylthio-5-trifluoromethylbenzoic acid
- benzoic acid, 2-((phenylmethyl)thio)-5-(trifluoromethyl)-
- btba
|
| CAS Number(s) |
|
| InChIKey |
JJFQTKHGJJWAJZ-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
F
|
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