Substance Profile

(Toluene-4-sulfonyl)-acetonitrile

  • Molecular Formula: C9H9NO2S
  • Element System: C-H-N-O-S
  • CAS-RN: 5697-44-9
  • InChI: InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
  • InChI Key: BBNNLJMGPASZPD-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 195.2419
  • Calculated Log P: 0.890
  • Rotatable Bonds: 4
  • H Acceptors: 3
  • H Donators: 0
  • Reactions having this substance as a reactant: 122
  • Reactions having this substance as a product: 9
  • Journal articles containing this substance: 45
  • Patents containing this substance: 21
  • Other publications containing this substance:
  • Suppliers: ABCR, Acros, Alfa Aesar, Apollo Scientific, ChemCollect, ChemPacific, Enamine, Life Chemicals, Maybridge, Oakwood, Otava, VWR

Data from SPRESIweb

3D Interactive Structure