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(2S)-N-(2-hydroxysulfonothioyloxyethyl)-2-(3-methylcyclohexyl)butan-1-amine

(2S)-N-(2-hydroxysulfonothioyloxyethyl)-2-(3-methylcyclohexyl)butan-1-amine structure

CAS No:
21226-94-8
Formula:
C13H27NO3S2
Chemical Name:
(2S)-N-(2-hydroxysulfonothioyloxyethyl)-2-(3-methylcyclohexyl)butan-1-amine
Synonyms:
21226-94-8;BRN 2981695;DTXSID80943643;S-2-(((2-Ethyl-2-(3-methylcyclohexyl))ethyl)amino)ethyl thiosulfate;Ethanethiol, 2-(2-(3-methylcyclohexyl)butyl)amino-, hydrogen sulfate (ester);2-(((2-Ethyl-2-(3-methylcyclohexyl))ethyl)amino)ethanethiol hydrogen sulfate (ester);O-(2-{[2-(3-Methylcyclohexyl)butyl]amino}ethyl) hydrogen sulfurothioate

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(2S)-N-(2-hydroxysulfonothioyloxyethyl)-2-(3-methylcyclohexyl)butan-1-amine Basic Attributes

Molecular Weight：

309.5 g/mol

Exact Mass：

309.14323607 g/mol

Characteristics

PSA：

99 Å²

Computed Properties

Molecular Weight:309.5
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:309.14323607
Monoisotopic Mass:309.14323607
Topological Polar Surface Area:99
Heavy Atom Count:19
Complexity:356
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 (2S)-N-(2-hydroxysulfonothioyloxyethyl)-2-(3-methylcyclohexyl)butan-1-amine

Basic Attributes
Characteristics
Computed Properties

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