5-(3,4-Dimethoxyphenyl)-1,3,4-Thiadiazol-2-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H11N3O2S
IUPAC Name 5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
Molecular Mass 237.278 g·mol−1
Heat of Formation 25.1 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 265.21 Å 3
Surface Area 251.6 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(3,4-dimethoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine
  • [5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]amine
  • bas 00599018
  • bim-0025115.p001
  • oprea1_275237
  • oprea1_404948
CAS Number(s)
  • 5427-87-2
InChIKey BQOCMHOWHOMIMJ-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