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4595-82-8

4595-82-8 | 1-Azabicyclo[2.2.2]octane-3-thiol

CAS No: 4595-82-8 Catalog No: AG006YCN MDL No:

Product Description

Catalog Number:
AG006YCN
Chemical Name:
1-Azabicyclo[2.2.2]octane-3-thiol
CAS Number:
4595-82-8
Molecular Formula:
C7H13NS
Molecular Weight:
143.2498
IUPAC Name:
1-azabicyclo[2.2.2]octane-3-thiol
InChI:
InChI=1S/C7H13NS/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChI Key:
GITGGQFTECFEHQ-UHFFFAOYSA-N
SMILES:
SC1CN2CCC1CC2

Properties

Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.077g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.248g/mol
Monoisotopic Mass:
143.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
Boron nitride nanotubes and their functionalization via quinuclidine-3-thiol with gold nanoparticles for the development and enhancement of the HPLC performance of HPLC monolithic columns. Talanta 20120515

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