Substance Profile

3-Phenyl-isothiazole-4,5-dicarboxylic acid dimethyl ester

  • Molecular Formula: C13H11NO4S
  • Element System: C-H-N-O-S
  • CAS-RN:
  • InChI: InChI=1S/C13H11NO4S/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7H,1-2H3
  • InChI Key: VBGFXPUHVNMJAD-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 277.3005
  • Calculated Log P: 2.728
  • Rotatable Bonds: 7
  • H Acceptors: 3
  • H Donators: 0
  • Reactions having this substance as a reactant: 4
  • Reactions having this substance as a product: 13
  • Journal articles containing this substance: 11
  • Patents containing this substance: 1
  • Other publications containing this substance:
  • Suppliers: Life Chemicals

Data from SPRESIweb

3D Interactive Structure