N-[(4-Chlorophenyl)Sulfanyl]-1H-1,2,4-Triazol-3-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C8H7ClN4S
IUPAC Name n-(4-chlorophenyl)sulfanyl-4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-amine
Molecular Mass 226.686 g·mol−1
Heat of Formation 327.0 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 241.65 Å 3
Surface Area 228.92 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chloro-n-(2h-1,2,4-triazol-3-yl)benzenesulfenamide
  • [(4-chlorophenyl)thio]-(2h-1,2,4-triazol-3-yl)amine
  • bay 08276
  • bay-08276
  • benzenesulfenamide, 4-chloro-n-1h-1,2,4-triazol-3-yl-
  • benzenesulfonic acid, 4-chloro-n-1h-1,2,4-triazol-3-yl-
  • n-(4-chlorophenyl)sulfanyl-2h-1,2,4-triazol-3-amine
CAS Number(s)
  • 85259-71-8
InChIKey YJJBKPSBOMZUGV-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S N C Cl