2-(1,3-Benzothiazol-2-Ylsulfanyl)Ethanol

Molecule SVG Image

Properties Simple | Detailed

Formula C9H9NOS2
IUPAC Name 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol
Molecular Mass 211.304 g·mol−1
Heat of Formation 13.3 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 233.47 Å 3
Surface Area 228.38 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1,3-benzothiazol-2-ylthio)ethanol
  • 2-(2-benzothiazolylthio)ethanol
  • 2-(2-hydroxyethylmercapto)benzothiazole
  • benzothiazole, 2-(2-hydroxyethylthio)-
  • cbdive_013692
  • hmbt
CAS Number(s)
  • 4665-63-8
InChIKey PYNOHHMFQYUSDD-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 O N