1-Allyl-1H-Tetrazole-5-Thiol

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Properties Simple | Detailed

Formula C4H6N4S
IUPAC Name 1-allyl-2h-tetrazole-5-thione
Molecular Mass 142.182 g·mol−1
Heat of Formation 488.2 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 167.62 Å 3
Surface Area 167.61 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1-allyl-2-tetrazoline-5-thione
  • 1-allyl-2h-tetrazole-5-thione
  • 1-allyl-5-mercaptotetrazole
  • 1-prop-2-enyl-2h-1,2,3,4-tetrazole-5-thione
  • 1-prop-2-enyl-2h-tetrazole-5-thione
  • 5h-tetrazole-5-thione, 1,2-dihydro-1-(2-propenyl)-
  • bbv-003532
  • t5462391
  • tetrazole-5-thiole, 1-allyl-
CAS Number(s)
  • 40588-02-1
  • 62718-93-8
  • 7624-33-1
InChIKey HKFDMAICHAYKNB-UHFFFAOYSA-N
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