(3R)-3-Hydroxy-3-[(2S)-2-Thiiranyl]Propanenitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C5H7NOS
IUPAC Name (3r)-3-hydroxy-3-[(2s)-thiiran-2-yl]propanenitrile
Molecular Mass 129.180 g·mol−1
Heat of Formation 14.1 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 161.05 Å 3
Surface Area 161.37 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-cyano-2-hydroxy-3,4-epithiobutane
  • (3r)-3-hydroxy-3-[(2s)-thiiran-2-yl]propanenitrile
  • (3r)-3-hydroxy-3-[(2s)-thiiran-2-yl]propionitrile
  • 4,5-epithio-3-hydroxyvaleronitrile, stereoisomer
  • thiiranepropanenitrile, beta-hydroxy-, (r*,s*)-
  • threo-1-cyano-2-hydroxy-3,4-epithiobutane
  • threo-4,5-epithio-3-hydroxyvaleronitrile
  • valeronitrile, 4,5-epithio-3-hydroxy-, (3r,4s)-
  • valeronitrile, 4,5-epithio-3-hydroxy-, stereoisomer
  • valeronitrile, 4,5-epithio-3-hydroxy-, threo-
CAS Number(s)
  • 32250-72-9
  • 18654-80-3
InChIKey YHHMEZJFUCZIOV-RFZPGFLSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N