Formula |
C8H12N2O3S |
IUPAC Name |
(2r)-2-acetamido-3-(2-cyanoethylsulfanyl)propanoic acid |
Molecular Mass |
216.257 g·mol−1 |
Heat of Formation |
-493.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.25 ± 1.08 D |
Volume |
256.49 Å 3 |
Surface Area |
240.03 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-0.61 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (2r)-2-acetamido-3-(2-cyanoethylsulfanyl)propanoic acid
- (2r)-2-acetamido-3-(2-cyanoethylthio)propanoic acid
- (2r)-2-acetamido-3-(2-cyanoethylthio)propionic acid
- l-cysteine, n-acetyl-s-(2-cyanoethyl)-
- n-acetyl-s-(2-cyanoethyl)cysteine
- nascs
- s-cyanoethylmercapturic acid
|
InChIKey |
VDKVYEUEJCNDHM-ZETCQYMHSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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