1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene
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![1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9072a055957043108767a5fdeed8a3b1.png "1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene")
1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene
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CAS No:
21224-78-2
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Formula:
C13H18F3NO4S2
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Chemical Name:
1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene
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Synonyms:
21224-78-2;BRN 2174318;s-[2-({4-[3-(trifluoromethyl)phenoxy]butyl}amino)ethyl] hydrogen sulfurothioate;DTXSID70943632;ZINC31570230;S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate;Ethanethiol, 2-(4-(alpha,alpha,alpha-trifluoro-m-tolyloxy)butyl)amino-, hydrogen sulfate (ester);2-[4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl]aminoethanethiol sulfate
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CAS No:
1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene Basic Attributes
373.4 g/mol
373.06293489 g/mol
Computed Properties
Molecular Weight:373.4
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:373.06293489
Monoisotopic Mass:373.06293489
Topological Polar Surface Area:109
Heavy Atom Count:23
Complexity:426
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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