Substance Profile

tert-butyl isothiocyanate

  • Molecular Formula: C5H9NS
  • Element System: C-H-N-S
  • CAS-RN: 590-42-1
  • InChI: InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
  • InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 115.1991
  • Calculated Log P: 2.743
  • Rotatable Bonds: 4
  • H Acceptors: 2
  • H Donators: 0
  • Reactions having this substance as a reactant: 45
  • Reactions having this substance as a product: 22
  • Journal articles containing this substance: 57
  • Patents containing this substance: 3
  • Other publications containing this substance: 1
  • Suppliers: ABCR, ASDI, Alfa Aesar, Enamine, Oakwood, Otava, Sigma-Aldrich, SynQuest, VWR

Data from SPRESIweb

3D Interactive Structure