• 
  [Synonyms]
  LS-65859
  S-2-(((4-Cyclohexyl-4-ethyl)butyl)amino)ethyl thiosulfate
  Ethanethiol, 2-((4-cyclohexylhexyl)amino)-, hydrogen sulfate (ester)
  2-(((4-Cyclohexyl-4-ethyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  21209-13-2
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	323.51496 [g/mol]
  Molecular Formula	C14H29NO3S2
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	10
  Exact Mass	323.158885
  MonoIsotopic Mass	323.158885
  Topological Polar Surface Area	58.6
  Heavy Atom Count	20
  Formal Charge	0
  Complexity	350
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	1
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (4S)-4-cyclohexyl-N-(2-hydroxysulfonothioyloxyethyl)hexan-1-amine
  Canonical SMILES: CCC(CCCNCCOS(=O)(=S)O)C1CCCCC1
  Isomeric SMILES: CC[C@@H](CCCNCCOS(=O)(=S)O)C1CCCCC1
  InChI: InChI=1/C14H29NO3S2/c1-2-13(14-7-4-3-5-8-14)9-6-10-15-11-12-18-20(16,
  17)19/h13-15H,2-12H2,1H3,(H,16,17,19)/t13-/m0/s1/f/h16H