1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline
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![1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3b06fb675f2746c8bb1923ab33942a05.png "1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline")
1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline
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CAS No:
41287-45-0
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Formula:
C16H22N2O4S2
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Chemical Name:
1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline
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Synonyms:
41287-45-0;BRN 1660166;Ethanethiosulfuric acid, 2-(5-(1-isoquinolyloxy)pentyl)amino-;S-2-((5-(1-Isoquinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate;Thiosulfuric acid, S-(2-(5-(1-isoquinolyloxy)pentyl)amino)ethyl ester;Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester);DTXSID70961578;ZINC31600792;2-[5-(1-Isoquinolyloxy)pentyl]aminoethanethiol sulfate;S-[2-({5-[(Isoquinolin-1-yl)oxy]pentyl}amino)ethyl] hydrogen sulfurothioate
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CAS No:
1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline Basic Attributes
370.5 g/mol
370.10209953 g/mol
Computed Properties
Molecular Weight:370.5
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:370.10209953
Monoisotopic Mass:370.10209953
Topological Polar Surface Area:122
Heavy Atom Count:24
Complexity:442
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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