2-{[3-(Methylamino)Propyl]Amino}Ethanethiol

Molecule SVG Image

Properties Simple | Detailed

Formula C6H16N2S
IUPAC Name 2-[3-(methylamino)propylamino]ethanethiol
Molecular Mass 148.270 g·mol−1
Heat of Formation -20.8 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 207.82 Å 3
Surface Area 215.2 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-methylaminopropylamino)ethanethiol
  • ethanethiol, 2-((3-(methylamino)propyl)amino)-
  • s-2-(3-methylaminopropylamino)ethanethiol
  • wr 255591
  • wr-255591
CAS Number(s)
  • 117062-90-5
InChIKey XYLUJZDXASMNBC-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N