N-Acetyl-S-(2-Cyanoethyl)-L-Cysteine

Molecule SVG Image

Properties Simple | Detailed

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
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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N