1-chloro-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene
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![1-chloro-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5e9041b9643a48f1bf5d6323e4e212cc.png "1-chloro-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene")
1-chloro-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene
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CAS No:
21224-73-7
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Formula:
C12H18ClNO4S2
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Chemical Name:
1-chloro-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene
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Synonyms:
21224-73-7;2-((2-(m-Chlorophenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester);s-(2-{[2-(3-chlorophenoxy)butyl]amino}ethyl) hydrogen sulfurothioate;S-2-((2-(m-Chlorophenoxy)butyl)amino)ethyl thiosulfate;DTXSID80943628;Ethanethiol, 2-((2-(m-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester);2-[[2-(m-Chlorophenoxy)butyl]amino]ethanethiol sulfate
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CAS No:
1-chloro-3-[1-(2-sulfosulfanylethylamino)butan-2-yloxy]benzene Basic Attributes
339.9 g/mol
339.0365781 g/mol
Computed Properties
Molecular Weight:339.9
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:339.0365781
Monoisotopic Mass:339.0365781
Topological Polar Surface Area:109
Heavy Atom Count:20
Complexity:361
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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