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4-[(1S)-2,5-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine

4-[(1S)-2,5-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine structure

CAS No:
21209-12-1
Formula:
C14H29NO3S2
Chemical Name:
4-[(1S)-2,5-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine
Synonyms:
BRN 2984170;DTXSID60943565;S-2-((4-(2,5-Dimethylcyclohexyl)butyl)amino)ethyl thiosulfate;2-((4-(2,5-Dimethylcyclohexyl)butyl)amino)ethanethiol hydrogen sulfate (ester);4-[(1S)-2,5-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine;Ethanethiol, 2-(4-(2,5-dimethylcyclohexyl)butyl)amino-, hydrogen sulfate (ester);O-(2-{[4-(2,5-Dimethylcyclohexyl)butyl]amino}ethyl) hydrogen sulfurothioate

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4-[(1S)-2,5-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine Basic Attributes

Molecular Weight：

323.5 g/mol

Exact Mass：

323.15888613 g/mol

Characteristics

PSA：

99 Å²

Computed Properties

Molecular Weight:323.5
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:323.15888613
Monoisotopic Mass:323.15888613
Topological Polar Surface Area:99
Heavy Atom Count:20
Complexity:369
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(1S)-2,5-dimethylcyclohexyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine

Basic Attributes
Characteristics
Computed Properties

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