Substance Profile

3-(4-Bromo-phenyl)-6-tert-butyl-4-methyl-3,4-dihydro-3aλ4-thia-1,2,3,4,5-pentaaza-pentalene

  • Molecular Formula: C13H16BrN5S
  • Element System: Br-C-H-N-S
  • CAS-RN:
  • InChI: InChI=1S/C13H16BrN5S/c1-13(2,3)11-12-15-17-19(20(12)18(4)16-11)10-7-5-9(14)6-8-10/h5-8H,1-4H3
  • InChI Key: YKDWQJZNOZJQIM-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 354.2744
  • Calculated Log P: 2.960
  • Rotatable Bonds: 6
  • H Acceptors: 3
  • H Donators: 0
  • Reactions having this substance as a reactant:
  • Reactions having this substance as a product:
  • Journal articles containing this substance: 1
  • Patents containing this substance:
  • Other publications containing this substance:
  • Suppliers:

Data from SPRESIweb

3D Interactive Structure