1. chem960
  2. 6706-13-4
Names and Identifiers
  • 1H-Thieno[3,4-d]imidazole-4-octanoic acid, hexahydro-2-oxo-
  • 8-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)octanoic acid
  • 8-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)octanoic acid
  • 6706-13-4
  • DTXSID80797683
  • InChIKey:YMZOIKAUIJYLSR-UHFFFAOYSA-N
  • Inchi:InChI=1S/C13H22N2O3S/c16-11(17)7-5-3-1-2-4-6-10-12-9(8-19-10)14-13(18)15-12/h9-10,12H,1-8H2,(H,16,17)(H2,14,15,18)
  • SMILES:C1C2C(C(S1)CCCCCCCC(=O)O)NC(=O)N2
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 286.13526
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 8
  • Monoisotopic Mass: 286.13511374g/mol
  • Heavy Atom Count: 19
  • Complexity: 338
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2
  • Topological Polar Surface Area: 104Ų

Experimental Properties

  • PSA: 78.43
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