S-(Methylcarbamoyl)-L-Cysteine

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Properties Simple | Detailed

Formula C5H10N2O3S
IUPAC Name (2r)-2-amino-3-(methylcarbamoylsulfanyl)propanoic acid
Molecular Mass 178.209 g·mol−1
Heat of Formation -558.3 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 204.17 Å 3
Surface Area 199.64 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(methylcarbamoylsulfanyl)propanoic acid
  • (2r)-2-amino-3-(methylcarbamoylthio)propanoic acid
  • (2r)-2-amino-3-(methylcarbamoylthio)propionic acid
  • carbamic acid, methylthio-, s-ester with l-cysteine
  • cysteine, methylcarbamate (ester), l-
  • l-cysteine, methylcarbamate (ester)
  • s-(n-methylcarbamoyl)-l-cysteine
  • ssmcc
CAS Number(s)
  • 53329-89-8
  • 7324-17-6
InChIKey OCFIRCHPJWLACG-VKHMYHEASA-N
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