Substance Profile

benzyl isothiocyanate

  • Molecular Formula: C8H7NS
  • Element System: C-H-N-S
  • CAS-RN: 622-78-6
  • InChI: InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
  • InChI Key: MDKCFLQDBWCQCV-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 149.2163
  • Calculated Log P: 3.321
  • Rotatable Bonds: 2
  • H Acceptors: 2
  • H Donators: 0
  • Reactions having this substance as a reactant: 458
  • Reactions having this substance as a product: 44
  • Journal articles containing this substance: 231
  • Patents containing this substance: 16
  • Other publications containing this substance:
  • Suppliers: ABCR, ASDI, Acros, Alfa Aesar, Apollo Scientific, Oakwood, Otava, Sigma-Aldrich, SynQuest, VWR

Data from SPRESIweb

3D Interactive Structure