3-Thiaheptane

Molecule SVG Image

Properties Simple | Detailed

Formula C6H14S
IUPAC Name 1-ethylsulfanylbutane
Molecular Mass 118.240 g·mol−1
Heat of Formation -118.7 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 173.04 Å 3
Surface Area 180.78 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 3.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(ethylthio)butane
  • 2-(ethylthio)butane
  • butane, 1-(ethylthio)-
  • butyl ethyl sulfide
  • ethyl butyl sulfide
  • ethyl butyl sulphide
  • ethyl butylsulfide
  • sulfide, butyl ethyl
CAS Number(s)
  • 5008-72-0
  • 638-46-0
InChIKey XJIRSLHMKBUGMR-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S