Formula |
C13H17NO3S |
IUPAC Name |
(2r)-2-acetamido-3-(o-tolylmethylsulfanyl)propanoic acid |
Molecular Mass |
267.344 g·mol−1 |
Heat of Formation |
-559.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.37 ± 1.08 D |
Volume |
321.48 Å 3 |
Surface Area |
263.87 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-0.26 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-acetamido-3-[(2-methylbenzyl)thio]propionic acid
- (2r)-2-acetamido-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
- (2r)-2-acetamido-3-[(2-methylphenyl)methylthio]propanoic acid
- s-(2-methylbenzyl)-n-acetylcysteine
- s-ortho-mbac
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CAS Number(s) |
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InChIKey |
TYMRNCZACFVURC-LBPRGKRZSA-N |
QR Code |
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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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