(2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)hexan-1-amine
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(2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)hexan-1-amine
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CAS No:
21209-01-8
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Formula:
C13H27NO3S2
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Chemical Name:
(2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)hexan-1-amine
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Synonyms:
2-((2-Cyclopentylhexyl)amino)ethanethiol hydrogen sulfate (ester);DTXSID30943557;S-2-(((2-Cyclopentyl-2-butyl)ethyl)amino)ethyl thiosulfate;ZINC5554501;Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester);O-{2-[(2-Cyclopentylhexyl)amino]ethyl} hydrogen sulfurothioate
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CAS No:
(2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)hexan-1-amine Basic Attributes
309.5 g/mol
309.14323607 g/mol
Computed Properties
Molecular Weight:309.5
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:309.14323607
Monoisotopic Mass:309.14323607
Topological Polar Surface Area:99
Heavy Atom Count:19
Complexity:337
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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