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

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Properties Simple | Detailed

Formula C10H12N4S
IUPAC Name 3-(o-tolylmethylsulfanyl)-2-aza-4-azonia-1-azanidacyclopenta-2,4-dien-4-amine
Molecular Mass 220.294 g·mol−1
Heat of Formation 378.4 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 262.63 Å 3
Surface Area 246.92 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2-methylbenzyl)thio]-4h-1,2,4-triazol-4-amine
  • 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
  • 3-[(2-methylphenyl)methylthio]-1,2,4-triazol-4-amine
  • [3-[(2-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine
  • sdccgmls-0012616.p002
InChIKey UVAUEHMNFBWZNL-UHFFFAOYSA-N
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Elements H C S N