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(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (3S)-1,2-dithiolane-3-carboxylate

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (3S)-1,2-dithiolane-3-carboxylate structure

CAS No:
14912-30-2
Formula:
C12H19NO2S2
Chemical Name:
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (3S)-1,2-dithiolane-3-carboxylate
Synonyms:
1,2-Dithiolane-3-carboxylic acid,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester,(3S)-;1αH,5αH-Tropan-3α-ol,1,2-dithiolane-3-carboxylate (ester);1,2-Dithiolane-3-carboxylic acid,8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester,[3(S)-endo]-;(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (3S)-1,2-dithiolane-3-carboxylate;Brugine;(+)-Tropine 1,2-dithiolan-3-carboxylate;Brugin

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Description

Brugine is a tropane alkaloid.

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (3S)-1,2-dithiolane-3-carboxylate Basic Attributes

Molecular Weight：

273.4 g/mol

Exact Mass：

273.41

DSSTox ID：

DTXSID00332035

Characteristics

PSA：

80.1 Å²

Computed Properties

Molecular Weight:273.4
XLogP3:2.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:273.08572120
Monoisotopic Mass:273.08572120
Topological Polar Surface Area:80.1
Heavy Atom Count:17
Complexity:299
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 (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (3S)-1,2-dithiolane-3-carboxylate

Description
Basic Attributes
Characteristics
Computed Properties
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