2-Methyl-1-[(2-{[2-Methyl-2-(2-Propyn-1-Ylsulfanyl)Propyl]Amino}Phenyl)Amino]-2-Propanethiol

Molecule SVG Image

Properties Simple | Detailed

Formula C17H26N2S2
IUPAC Name 2-methyl-1-[2-[(2-methyl-2-prop-2-ynylsulfanyl-propyl)amino]anilino]propane-2-thiol
Molecular Mass 322.532 g·mol−1
Heat of Formation 229.7 ± 16.7 kJ·mol−1
Dipole Moment 1.69 ± 1.08 D
Volume 396.61 Å 3
Surface Area 329.44 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-1-[[2-[(2-methyl-2-prop-2-ynylsulfanyl-propyl)amino]phenyl]amino]propane-2-thiol
  • 2-methyl-1-[[2-[(2-methyl-2-prop-2-ynylsulfanylpropyl)amino]phenyl]amino]propane-2-thiol
  • 2-methyl-1-[[2-[[2-methyl-2-(prop-2-ynylthio)propyl]amino]phenyl]amino]propane-2-thiol
  • 2-methyl-1-[[2-[[2-methyl-2-(propargylthio)propyl]amino]phenyl]amino]propane-2-thiol
  • t 691
  • t-691
  • t691
  • tc-99m-t691
  • technetium-99m-n1-(2-mercapto-2-methylpropyl)-n2-(2-propargylthio-2-methylpropyl)-1,2-benzenediamine
CAS Number(s)
  • 135937-66-5
InChIKey SYBLQBKYOUYTMO-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