(3S)-3-cyclohexyl-N-(2-hydroxysulfonothioyloxyethyl)pentan-1-amine
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(3S)-3-cyclohexyl-N-(2-hydroxysulfonothioyloxyethyl)pentan-1-amine
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CAS No:
21226-92-6
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Formula:
C13H27NO3S2
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Chemical Name:
(3S)-3-cyclohexyl-N-(2-hydroxysulfonothioyloxyethyl)pentan-1-amine
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Synonyms:
BRN 2981482;S-2-((3-Cyclohexylpentyl)amino)ethyl thiosulfate;DTXSID60943641;2-((3-Cyclohexylpentyl)amino)ethanethiol hydrogen sulfate (ester);Ethanethiol, 2-(3-cyclohexylpentyl)amino-, hydrogen sulfate (ester);O-{2-[(3-Cyclohexylpentyl)amino]ethyl} hydrogen sulfurothioate
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CAS No:
(3S)-3-cyclohexyl-N-(2-hydroxysulfonothioyloxyethyl)pentan-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:9
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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