1H-1,2,4-Triazole, 3-(4-Chlorophenyl)-5-(Methylthio)-

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Properties Simple | Detailed

Formula C9H8ClN3S
IUPAC Name 3-(4-chlorophenyl)-5-methylsulfanyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-diene
Molecular Mass 225.698 g·mol−1
Heat of Formation 271.9 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 245.98 Å 3
Surface Area 238.82 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-chlorophenyl)-5-(methylthio)-2h-1,2,4-triazole
  • 3-(4-chlorophenyl)-5-(methylthio)-4h-1,2,4-triazole
  • 3-(4-chlorophenyl)-5-methylsulfanyl-2h-1,2,4-triazole
  • l03
InChIKey YXVAYMRODBYXIQ-UHFFFAOYSA-N
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Elements H C Cl S N