| Formula |
C14H16O4S |
| IUPAC Name |
(2r)-2-(acetylsulfanylmethyl)-4-oxo-4-(p-tolyl)butanoic acid |
| Molecular Mass |
280.339 g·mol−1 |
| Heat of Formation |
-678.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.83 ± 1.08 D |
| Volume |
333.63 Å 3 |
| Surface Area |
308.12 Å 2 |
| HOMO Energy |
-9.35 ± 0.55 eV |
| LUMO Energy |
-0.63 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxo-butanoic acid
- (2r)-2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoic acid
- (2r)-2-(ethanoylsulfanylmethyl)-4-(4-methylphenyl)-4-oxo-butanoic acid
- (2r)-2-[(acetylthio)methyl]-4-(4-methylphenyl)-4-oxobutanoic acid
- (2r)-2-[(acetylthio)methyl]-4-keto-4-(4-methylphenyl)butyric acid
|
| InChIKey |
YRSSFEUQNAXQMX-LBPRGKRZSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
|
| |
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