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LS-66112,S-2-((2-(p-Tolyloxy)butyl)amino)ethyl thiosulfate,2-((2-(p-To

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摘 要:LS-66112,S-2-((2-(p-Tolyloxy)butyl)amino)ethyl thiosulfate,2-((2-(p-Tolyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester),Ethanethiol, 2-(2-(p-tolyloxy)butyl)amino-, hydrogen sulfate (ester),19143-03-4, 1-methyl-4-[1-(2-sulfosulfanylethylamino)bu
[Synonyms]
LS-66112
S-2-((2-(p-Tolyloxy)butyl)amino)ethyl thiosulfate
2-((2-(p-Tolyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
Ethanethiol, 2-(2-(p-tolyloxy)butyl)amino-, hydrogen sulfate (ester)
19143-03-4

[Structure]
LS-66112,S-2-((2-(p-Tolyloxy)butyl)amino)ethyl thiosulfate,2-((2-(p-To

[ Properties Computed from Structure]
Molecular Weight319.44014 [g/mol]
Molecular FormulaC13H21NO4S2
XLogP1.9
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count9
Exact Mass319.0912
MonoIsotopic Mass319.0912
Topological Polar Surface Area75.6
Heavy Atom Count20
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-methyl-4-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene
Canonical SMILES: CCC(CNCCSS(=O)(=O)O)OC1=CC=C(C=C1)C
InChI: InChI=1/C13H21NO4S2/c1-3-12(10-14-8-9-19-20(15,
16)17)18-13-6-4-11(2)5-7-13/h4-7,12,14H,3,8-10H2,1-2H3,(H,15,16,
17)/f/h15H

 
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