Acthiol J

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Properties Simple | Detailed

Formula C4H9NO2S
IUPAC Name (2r)-2-azaniumyl-3-methoxy-3-oxo-propane-1-thiolate
Molecular Mass 135.185 g·mol−1
Heat of Formation -356.2 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 162.88 Å 3
Surface Area 167.93 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-mercapto-propionic acid methyl ester
  • (2r)-2-amino-3-mercaptopropanoic acid methyl ester
  • cysteine methyl ester
  • cysteine, methyl ester, l-
  • l-cysteine, methyl ester
  • methyl (2r)-2-amino-3-sulfanyl-propanoate
  • methyl (2r)-2-amino-3-sulfanylpropanoate
  • methyl (r)-cysteinate
  • methyl 2-amino-3-mercaptopropionate
  • methyl ester of cysteine
  • methyl l-cysteinate
CAS Number(s)
  • 2485-62-3
  • 24425-80-7
InChIKey MCYHPZGUONZRGO-VKHMYHEASA-N
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