3-[(2,4-Dichlorobenzyl)Sulfanyl]-1H-1,2,4-Triazol-5-Amine

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Properties Simple | Detailed

Formula C9H8Cl2N4S
IUPAC Name 5-[(2,4-dichlorophenyl)methylsulfanyl]-2h-1,2,4-triazol-3-amine
Molecular Mass 275.158 g·mol−1
Heat of Formation 246.6 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 283.91 Å 3
Surface Area 266.41 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 11g-011
  • 3-[(2,4-dichlorobenzyl)thio]-1h-1,2,4-triazol-5-amine
  • 5-(2,4-dichloro-benzylsulfanyl)-2h-[1,2,4]triazol-3-ylamine
  • 5-[(2,4-dichlorophenyl)methylthio]-2h-1,2,4-triazol-3-amine
  • [5-[(2,4-dichlorobenzyl)thio]-2h-1,2,4-triazol-3-yl]amine
  • bas 00671148
InChIKey ZOVIHJUPKVOGKF-UHFFFAOYSA-N
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Elements H S Cl C N