| Formula |
C13H16N2O4S |
| IUPAC Name |
(4-acetamidophenyl) (2r)-2-acetamido-3-sulfanyl-propanoate |
| Molecular Mass |
296.342 g·mol−1 |
| Heat of Formation |
-645.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.79 ± 1.08 D |
| Volume |
343.95 Å 3 |
| Surface Area |
318.02 Å 2 |
| HOMO Energy |
-8.89 ± 0.55 eV |
| LUMO Energy |
-0.54 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-2-acetamido-3-mercapto-propionic acid (4-acetamidophenyl) ester
- (2r)-2-acetamido-3-mercaptopropanoic acid (4-acetamidophenyl) ester
- (4-acetamidophenyl) (2r)-2-acetamido-3-sulfanyl-propanoate
- 4-(acetylamino)phenyl n-acetyl-l-cysteine
- l-cysteine, n-acetyl-, 4-(acetylamino)phenyl ester
- paracetamol mercapturate
|
| CAS Number(s) |
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| InChIKey |
NTEYFNUDSXITGC-LBPRGKRZSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
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