• 
  [Synonyms]
  WR 3121
  BRN 2141435
  LS-66115
  S-2-((4-(p-Tolyloxy)butyl)amino)ethyl thiosulfate
  2-((4-(p-Tolyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  Ethanethiol, 2-(4-(p-tolyloxy)butyl)amino-, hydrogen sulfate (ester)
  Thiosulfuric acid, S-(2-((4-(p-tolyloxy)butyl)amino)ethyl) ester
  21224-81-7
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	319.44014 [g/mol]
  Molecular Formula	C13H21NO4S2
  XLogP	1.8
  H-Bond Donor	2
  H-Bond Acceptor	5
  Rotatable Bond Count	10
  Exact Mass	319.0912
  MonoIsotopic Mass	319.0912
  Topological Polar Surface Area	75.6
  Heavy Atom Count	20
  Formal Charge	0
  Complexity	335
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  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: 1-methyl-4-[4-(2-sulfosulfanylethylamino)butoxy]benzene
  Canonical SMILES: CC1=CC=C(C=C1)OCCCCNCCSS(=O)(=O)O
  InChI: InChI=1/C13H21NO4S2/c1-12-4-6-13(7-5-12)18-10-3-2-8-14-9-11-19-20(15,
  16)17/h4-7,14H,2-3,8-11H2,1H3,(H,15,16,17)/f/h15H