1,1-Dimethyl-3-(1H-1,2,4-Triazol-3-Yl)Thiourea

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Properties Simple | Detailed

Formula C5H9N5S
IUPAC Name 1,1-dimethyl-3-(1h-1,2,4-triazol-5-yl)thiourea
Molecular Mass 171.223 g·mol−1
Heat of Formation 313.2 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 198.75 Å 3
Surface Area 193.9 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-dimethyl-3-(2h-1,2,4-triazol-3-yl)thiourea
  • du 18288
  • du-18288
  • n,n-dimethyl-n'-1h-1,2,4-triazol-3-ylthiourea
  • thiourea, n,n-dimethyl-n'-1h-1,2,4-triazol-3-yl-
CAS Number(s)
  • 72601-96-8
InChIKey KNEGMHZEWUHXPO-UHFFFAOYSA-N
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